data_1ssu_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 1ssu _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 CA--C 1.545 0.768 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -69.36 104.04 2.16 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.226 -1.546 . . . . 0.0 111.013 -170.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.07 6.16 45.91 Favored Glycine 0 CA--C 1.543 1.804 0 C-N-CA 126.08 1.8 . . . . 0.0 115.093 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -132.38 -21.39 2.3 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -170.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.5 120.48 6.71 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 m 52.12 42.89 30.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.646 1.978 . . . . 0.0 113.312 -172.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -63.29 -21.49 66.28 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.29 153.15 25.95 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.559 1.552 . . . . 0.0 113.114 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -69.8 133.31 47.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.449 1.1 . . . . 0.0 113.844 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -160.53 89.41 0.82 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.125 1.77 . . . . 0.0 108.568 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 p -57.74 -13.57 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 -169.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.17 -27.44 66.42 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.064 -1.023 . . . . 0.0 113.6 170.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -72.26 148.31 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.344 1.057 . . . . 0.0 113.221 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -64.23 -23.14 67.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.412 1.485 . . . . 0.0 114.754 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -130.53 125.65 34.8 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 111.337 169.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -85.97 69.77 10.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 167.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -75.84 48.15 0.46 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.724 1.61 . . . . 0.0 109.885 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -152.45 -179.89 7.97 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.544 1.938 . . . . 0.0 115.116 -168.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -61.47 -19.75 62.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.698 2.399 . . . . 0.0 116.87 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.2 mt -109.6 1.33 19.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.913 1.233 . . . . 0.0 113.806 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.8 p -63.17 -30.62 71.73 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -172.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 p -64.05 -33.84 76.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.248 0.931 . . . . 0.0 112.828 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -67.12 -15.18 63.56 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.701 2.0 . . . . 0.0 113.535 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -120.17 -9.28 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 52.06 39.79 27.17 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.787 1.635 . . . . 0.0 113.695 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 p -129.1 21.5 5.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.755 2.022 . . . . 0.0 112.995 -171.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -76.41 166.99 22.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.15 1.78 . . . . 0.0 114.594 -175.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.02 148.78 7.37 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.797 0.839 . . . . 0.0 111.547 168.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 p -58.01 -19.01 27.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -143.43 38.65 1.39 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.092 1.357 . . . . 0.0 112.185 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.409 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 42.6 t80 -38.8 -52.11 1.72 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.918 1.687 . . . . 0.0 114.42 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -11.29 57.42 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.56 -12.67 8.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.061 1.345 . . . . 0.0 114.439 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -118.14 -36.53 3.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.17 -6.27 10.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.562 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 126.929 2.092 . . . . 0.0 112.009 178.729 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 117.41 10.66 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 119.799 -1.813 . . . . 0.0 109.704 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.57 79.22 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.816 1.198 . . . . 0.0 115.191 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -129.11 -21.69 3.25 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.5 m -56.94 127.54 32.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.395 0.998 . . . . 0.0 113.256 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m 53.25 38.96 28.96 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.857 2.063 . . . . 0.0 113.957 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.36 -19.24 65.4 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.89 143.48 14.97 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.144 1.354 . . . . 0.0 113.543 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.82 137.61 51.95 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.026 1.331 . . . . 0.0 114.393 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -167.87 98.17 0.46 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.401 2.28 . . . . 0.0 106.523 169.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -59.33 -11.1 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -169.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -75.36 -18.05 60.07 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.76 149.53 47.88 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.093 . . . . 0.0 112.073 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -62.91 -27.5 69.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.1 t -132.23 132.18 42.84 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.334 1.054 . . . . 0.0 110.583 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -87.52 67.98 9.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 168.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.9 m -79.29 53.05 1.42 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.279 1.432 . . . . 0.0 108.92 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -149.82 -179.5 7.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 115.498 -168.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.04 -13.71 62.19 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.299 2.24 . . . . 0.0 116.88 -174.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.45 0.51 11.63 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.114 1.325 . . . . 0.0 113.338 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -63.53 -32.42 73.88 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -71.65 -29.14 64.29 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 112.529 -174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.82 -17.8 64.56 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.391 1.877 . . . . 0.0 113.043 169.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.21 -2.37 14.93 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.933 1.693 . . . . 0.0 113.799 173.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 49.37 38.82 14.86 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.393 1.877 . . . . 0.0 113.703 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 p -127.96 17.7 6.71 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.376 1.471 . . . . 0.0 114.264 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.6 m -61.35 164.33 5.66 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.257 1.423 . . . . 0.0 114.002 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.33 155.71 0.48 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.848 1.259 . . . . 0.0 113.533 168.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 m -51.02 -28.32 9.8 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.858 2.063 . . . . 0.0 115.227 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -139.01 32.11 2.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.117 1.367 . . . . 0.0 112.252 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -34.89 -50.96 0.5 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.156 2.183 . . . . 0.0 115.931 -171.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -11.85 53.79 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.57 -31.51 4.28 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.478 1.111 . . . . 0.0 113.471 170.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.95 -37.17 17.84 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.95 -10.32 9.11 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt . . . . . 0 CA--C 1.551 0.995 0 C-N-CA 126.699 1.999 . . . . 0.0 113.675 -170.561 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -69.71 90.57 0.59 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.59 1.156 . . . . 0.0 112.14 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.05 -2.55 5.15 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 126.784 2.135 . . . . 0.0 114.902 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -134.11 -30.53 1.19 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 m -48.66 145.77 3.47 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -169.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m 67.7 24.01 8.5 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.652 1.581 . . . . 0.0 112.471 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.53 -18.64 64.04 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.617 -1.302 . . . . 0.0 114.434 171.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.69 155.93 11.25 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.554 1.55 . . . . 0.0 113.643 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -70.03 135.18 49.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.437 1.495 . . . . 0.0 113.124 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -161.01 84.65 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.52 1.528 . . . . 0.0 109.717 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -58.76 -12.15 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.81 -22.94 65.15 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.772 1.229 . . . . 0.0 114.14 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -93.56 157.27 16.28 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -169.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.34 -22.25 64.75 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.65 1.98 . . . . 0.0 115.245 -170.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 p -138.26 143.99 40.32 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.951 0.9 . . . . 0.0 110.458 169.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -97.26 70.47 2.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.0 m -74.43 46.88 0.28 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.549 1.54 . . . . 0.0 110.556 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.3 -179.63 7.52 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.696 1.999 . . . . 0.0 114.428 -168.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.48 -19.04 65.32 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.446 2.299 . . . . 0.0 116.643 -171.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -110.65 4.08 19.85 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.76 1.224 . . . . 0.0 113.265 -171.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 p -59.79 -37.29 78.7 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.4 p -75.64 -29.0 59.01 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.758 0.823 . . . . 0.0 112.851 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -63.42 -21.83 66.52 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.623 1.569 . . . . 0.0 112.914 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -107.98 1.56 22.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.537 1.535 . . . . 0.0 113.719 172.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 47.07 36.95 4.63 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.949 1.7 . . . . 0.0 113.257 -172.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -125.96 20.26 7.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.265 1.426 . . . . 0.0 113.898 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 m -53.99 165.09 0.51 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.954 1.301 . . . . 0.0 113.283 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 155.22 1.64 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.468 -0.77 . . . . 0.0 112.507 173.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.8 p -53.48 -25.91 18.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.153 1.381 . . . . 0.0 114.499 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -141.44 38.45 1.7 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.764 1.226 . . . . 0.0 112.164 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 37.4 t80 -34.38 -51.11 0.45 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.386 1.875 . . . . 0.0 114.147 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -12.08 59.34 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.72 -15.85 7.35 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -120.02 -19.48 7.81 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.2 m -123.04 -13.62 7.75 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 127.275 2.23 . . . . 0.0 113.581 -172.083 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 117.375 2.361 . . . . 0.0 117.375 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -69.16 113.34 6.43 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.339 -1.476 . . . . 0.0 110.581 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.94 15.57 74.71 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.297 1.427 . . . . 0.0 114.955 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -133.73 -24.19 1.75 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.6 m -48.89 126.13 11.63 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.846 1.203 . . . . 0.0 113.896 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 67.07 31.04 7.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.516 1.927 . . . . 0.0 113.817 -176.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.72 -15.73 61.88 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.14 126.76 4.62 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.168 1.366 . . . . 0.0 111.969 -169.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.68 149.36 48.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.172 1.389 . . . . 0.0 113.998 -172.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -163.42 114.08 1.38 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.135 2.574 . . . . 0.0 105.544 168.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.6 -14.03 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.55 -16.99 60.2 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.46 156.57 38.65 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.05 0.94 . . . . 0.0 111.253 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -77.32 -9.52 58.88 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 p -143.79 149.5 37.15 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.687 1.995 . . . . 0.0 107.331 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -109.2 64.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 169.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.3 42.36 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.522 1.929 . . . . 0.0 111.743 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -149.36 169.23 21.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.06 2.144 . . . . 0.0 113.25 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.67 -36.84 62.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.493 2.317 . . . . 0.0 116.244 -170.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.6 mt -85.06 -1.74 57.18 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -172.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p -62.26 -34.97 77.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 m -63.87 -28.15 69.65 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.004 0.922 . . . . 0.0 113.287 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.76 -14.57 62.84 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.077 1.751 . . . . 0.0 113.424 173.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -117.38 -18.24 9.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.426 1.49 . . . . 0.0 114.204 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 60.21 5.98 0.92 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.611 2.364 . . . . 0.0 115.425 -172.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m -75.42 -0.65 20.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.677 1.991 . . . . 0.0 114.8 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -50.64 162.21 0.27 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.961 2.504 . . . . 0.0 117.385 -169.671 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -50.42 136.73 20.05 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.692 0.797 . . . . 0.0 110.817 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -62.42 -8.25 5.78 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -169.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -138.07 25.11 2.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.241 1.416 . . . . 0.0 112.624 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.404 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 51.2 t80 -33.51 -50.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.045 2.138 . . . . 0.0 115.267 -177.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 p -63.67 -12.7 36.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -27.7 5.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.894 1.278 . . . . 0.0 113.155 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -91.46 -44.35 9.17 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -9.05 9.48 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 127.803 2.441 . . . . 0.0 112.157 177.813 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 8.3 t . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -69.74 91.07 0.61 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.443 1.474 . . . . 0.0 111.446 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.77 3.4 8.42 Favored Glycine 0 CA--C 1.543 1.811 0 C-N-CA 126.742 2.115 . . . . 0.0 114.545 -171.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -132.1 -35.04 1.23 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 -169.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -46.15 130.86 10.31 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 67.92 27.7 7.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.123 2.169 . . . . 0.0 113.598 -171.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -21.35 64.32 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.148 -1.595 . . . . 0.0 114.744 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.17 153.09 29.2 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.054 1.311 . . . . 0.0 112.81 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.56 136.83 49.58 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -164.7 89.87 0.52 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.506 1.922 . . . . 0.0 108.789 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.263 3.1 p -58.89 -8.21 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -169.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.3 -28.48 66.31 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.909 -1.12 . . . . 0.0 113.097 169.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -72.28 154.23 41.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.5 1.12 . . . . 0.0 113.721 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.98 -23.59 66.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.397 1.879 . . . . 0.0 114.503 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 p -137.39 147.88 45.79 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.454 1.102 . . . . 0.0 110.095 169.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -102.45 66.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 168.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.1 m -72.67 47.9 0.19 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.649 1.98 . . . . 0.0 110.85 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -150.19 -179.82 7.5 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.439 1.896 . . . . 0.0 114.273 -168.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.42 -20.05 66.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -172.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.8 mt -104.35 -11.3 17.21 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.171 1.35 . . . . 0.0 114.142 -170.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 p -60.05 -28.41 67.76 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -63.99 -20.82 66.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.035 1.334 . . . . 0.0 113.08 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -92.46 -44.91 8.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.398 . . . . 0.0 111.627 169.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -73.15 -9.25 58.52 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 55.78 39.67 30.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.258 1.823 . . . . 0.0 113.211 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.2 p -130.28 14.65 5.61 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.893 1.677 . . . . 0.0 114.943 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.78 161.58 7.81 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 157.6 10.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.306 1.042 . . . . 0.0 111.594 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.6 p -57.3 -22.62 43.07 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -169.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -140.5 32.56 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.67 1.188 . . . . 0.0 112.365 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.418 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 63.0 t80 -29.82 -56.11 0.17 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.679 2.392 . . . . 0.0 116.01 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -10.27 51.51 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -30.19 4.58 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -104.81 -24.71 12.86 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.8 m -120.84 -9.06 9.35 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -175.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt . . . . . 0 CA--C 1.551 0.986 0 C-N-CA 126.969 2.107 . . . . 0.0 113.349 -169.567 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -68.81 104.09 1.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.715 1.143 . . . . 0.0 112.097 -168.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.14 -4.09 20.41 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 126.246 1.879 . . . . 0.0 114.906 -173.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -131.45 -28.51 1.86 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -169.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -38.16 124.61 1.22 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 66.91 27.73 8.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.616 2.367 . . . . 0.0 114.064 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -67.32 -15.07 63.48 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.6 138.14 10.12 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.11 1.338 . . . . 0.0 110.416 -168.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.4 ' CZ ' ' CE2' ' A' ' 28' ' ' TYR . 74.9 t80 -69.62 142.35 53.51 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.397 1.079 . . . . 0.0 113.669 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -156.08 94.31 1.51 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.842 1.657 . . . . 0.0 109.4 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.91 -13.49 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.72 -27.63 65.13 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -71.22 151.86 43.9 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -60.48 -28.57 68.45 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.495 1.518 . . . . 0.0 114.0 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.6 145.13 50.27 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.685 0.755 . . . . 0.0 110.745 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -100.31 65.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 168.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -67.15 38.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 127.341 2.256 . . . . 0.0 112.781 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -151.2 166.39 31.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.371 1.868 . . . . 0.0 113.071 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.46 -38.71 55.11 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.496 2.318 . . . . 0.0 116.085 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.97 -8.43 56.93 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 p -57.65 -27.71 63.07 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -63.68 -9.81 15.93 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.697 1.599 . . . . 0.0 114.2 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -111.17 -6.96 14.5 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.837 2.055 . . . . 0.0 112.582 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' CE2' ' CZ ' ' A' ' 13' ' ' PHE . 50.8 m-85 -120.08 -7.98 9.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 53.71 31.0 12.02 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.576 1.55 . . . . 0.0 113.761 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.1 m -127.74 21.11 6.5 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.268 1.827 . . . . 0.0 112.329 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.86 167.11 14.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.45 1.5 . . . . 0.0 114.3 -176.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.68 148.13 35.05 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.796 -0.565 . . . . 0.0 110.024 168.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -57.84 -23.04 50.94 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.549 1.54 . . . . 0.0 115.088 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.46 35.07 3.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 111.38 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.475 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 64.9 t80 -42.18 -52.37 4.39 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 p -65.31 -11.52 42.59 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.17 -25.25 5.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.743 1.217 . . . . 0.0 113.797 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -120.43 -20.56 7.16 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.7 m -120.92 -17.2 7.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -174.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 tptt . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 126.421 1.888 . . . . 0.0 112.567 -169.783 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -69.12 120.51 15.07 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.124 -1.61 . . . . 0.0 110.897 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.09 12.53 84.28 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.282 1.42 . . . . 0.0 115.191 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -133.33 -26.75 1.63 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -49.1 132.51 19.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.613 1.097 . . . . 0.0 113.906 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 62.64 27.94 16.39 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.029 2.132 . . . . 0.0 114.029 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.16 -19.92 65.98 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.22 151.06 7.88 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 124.944 1.259 . . . . 0.0 111.86 -169.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.25 138.78 54.24 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.167 -1.196 . . . . 0.0 112.765 -169.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -148.43 102.43 3.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.434 1.493 . . . . 0.0 107.277 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -50.73 -24.04 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 126.58 1.952 . . . . 0.0 114.78 -169.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.67 -21.57 55.22 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.72 150.2 47.2 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.414 1.085 . . . . 0.0 113.211 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.84 -38.27 86.09 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.389 1.476 . . . . 0.0 112.335 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.47 167.24 10.61 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.345 1.058 . . . . 0.0 108.634 168.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -125.07 69.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 169.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.9 m -73.32 38.48 0.09 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.288 1.835 . . . . 0.0 112.293 -171.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -144.57 177.7 8.49 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.28 -30.96 67.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.669 1.988 . . . . 0.0 115.784 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.6 mt -92.6 -0.72 57.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.121 0.968 . . . . 0.0 113.267 -173.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.7 p -63.19 -30.28 71.46 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -70.01 -31.61 69.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.057 0.943 . . . . 0.0 112.783 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -63.22 -22.65 67.0 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.444 1.097 . . . . 0.0 113.099 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -107.83 -12.06 15.26 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.951 1.3 . . . . 0.0 114.185 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 53.56 41.63 32.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.825 1.65 . . . . 0.0 112.685 -169.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.1 m -122.39 17.6 10.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.369 1.468 . . . . 0.0 113.845 -172.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 m -58.78 163.75 3.18 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.797 1.639 . . . . 0.0 115.242 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.19 151.67 12.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.541 1.136 . . . . 0.0 111.057 168.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.5 p -60.99 -18.92 60.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -172.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -133.38 30.93 3.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.91 1.684 . . . . 0.0 111.717 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -36.93 -53.25 0.95 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.417 1.887 . . . . 0.0 115.308 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 p -65.9 -12.19 52.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.35 -15.65 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.711 1.604 . . . . 0.0 113.919 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -120.28 -31.52 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.51 -25.32 5.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 120.27 1.396 . . . . 0.0 113.173 -169.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt . . . . . 0 N--CA 1.473 0.702 0 C-N-CA 128.777 2.831 . . . . 0.0 113.101 -176.268 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.4 t . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 79.96 0.39 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.73 1.212 . . . . 0.0 111.964 -170.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.74 -0.8 4.21 Favored Glycine 0 CA--C 1.544 1.845 0 C-N-CA 127.006 2.241 . . . . 0.0 115.104 -171.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -131.15 -27.26 2.04 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -45.81 128.83 9.08 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -170.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 55.86 33.69 22.06 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.252 2.221 . . . . 0.0 113.832 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.96 -22.85 64.84 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.429 -1.419 . . . . 0.0 114.379 170.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.7 137.84 7.06 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 127.014 2.245 . . . . 0.0 110.785 -172.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.09 140.21 54.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.801 0.81 . . . . 0.0 111.525 -173.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -160.73 103.16 1.34 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.988 1.715 . . . . 0.0 107.424 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.19 -16.2 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -171.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -68.21 -23.56 64.83 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.52 149.45 48.22 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.094 0.958 . . . . 0.0 112.17 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -59.08 -30.07 67.81 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -127.66 144.67 51.06 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.139 0.975 . . . . 0.0 110.94 169.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -96.29 65.58 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 167.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.91 33.48 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.631 2.373 . . . . 0.0 111.563 171.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -141.19 174.87 10.12 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 -167.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.74 -8.99 12.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.961 2.505 . . . . 0.0 116.582 -169.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -120.09 4.57 10.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.581 1.552 . . . . 0.0 113.258 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 p -58.58 -36.95 74.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -169.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.7 t -64.75 -39.66 93.99 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.867 0.867 . . . . 0.0 111.813 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.76 -13.4 23.1 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.868 1.667 . . . . 0.0 114.175 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.82 -0.35 13.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.463 1.505 . . . . 0.0 113.959 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 46.29 35.07 2.48 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.565 1.546 . . . . 0.0 113.227 -172.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 m -124.55 18.65 8.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.394 1.478 . . . . 0.0 114.035 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -58.44 160.21 5.56 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.757 1.223 . . . . 0.0 113.918 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -57.96 161.14 4.17 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.404 1.082 . . . . 0.0 111.507 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.8 p -55.61 -25.11 36.88 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -172.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.13 40.77 1.37 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.684 1.194 . . . . 0.0 112.213 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.442 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 65.3 t80 -39.83 -54.1 2.17 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.095 1.758 . . . . 0.0 114.81 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -13.84 61.05 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.37 -21.68 6.79 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -120.1 -20.27 7.48 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 1.9 m -120.94 -13.92 8.54 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 127.254 2.222 . . . . 0.0 113.958 -169.67 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 4.2 t . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -69.69 97.33 1.05 Allowed 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.358 -1.464 . . . . 0.0 111.201 -169.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.99 48.11 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.544 1.545 . . . . 0.0 114.666 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -129.37 -20.04 3.38 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -53.91 15.48 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.929 3.677 . . . . 0.0 120.929 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.6 p -142.28 15.6 2.04 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.763 2.825 . . . . 0.0 111.681 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.07 -15.56 45.9 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.22 143.34 13.62 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.449 1.5 . . . . 0.0 113.925 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -72.79 134.62 45.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.473 1.509 . . . . 0.0 114.221 -172.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -158.48 99.17 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.791 2.036 . . . . 0.0 106.723 169.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.56 -12.88 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -169.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.08 -18.07 60.87 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.22 152.6 44.87 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 121.032 -1.043 . . . . 0.0 112.39 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -63.95 -23.71 67.45 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.764 1.625 . . . . 0.0 113.993 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 p -137.81 158.45 44.32 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.27 1.828 . . . . 0.0 108.307 168.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -111.36 65.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m -72.95 50.06 0.25 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.185 2.194 . . . . 0.0 110.388 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -149.27 166.64 28.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.309 1.444 . . . . 0.0 112.633 -169.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.91 -23.36 53.04 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.4 mt -99.08 0.42 43.6 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.554 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 5.1 p -58.72 -21.26 54.58 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -168.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -76.28 -26.2 55.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -69.56 -28.79 66.3 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.865 -1.147 . . . . 0.0 113.372 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 5.9 p90 -120.8 14.07 11.61 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.653 1.581 . . . . 0.0 114.015 175.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 45.96 45.0 11.9 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.521 2.328 . . . . 0.0 116.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.9 m -131.76 25.47 4.69 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -173.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -54.52 164.13 0.78 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.513 1.525 . . . . 0.0 115.02 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.06 151.14 7.22 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.606 0.762 . . . . 0.0 111.392 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 p -59.16 -15.07 12.56 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -131.2 20.09 4.87 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.448 1.499 . . . . 0.0 113.021 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 45.3 t80 -38.48 -52.42 1.58 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -175.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -68.42 -6.51 25.05 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -32.06 4.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.773 1.629 . . . . 0.0 113.731 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -120.69 -18.63 7.66 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 2.8 m -120.49 -10.54 9.25 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.131 1.332 . . . . 0.0 114.25 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.5 pttt . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 126.254 1.821 . . . . 0.0 112.603 -176.799 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.86 89.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.198 0.999 . . . . 0.0 112.015 -170.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.91 4.95 12.29 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.998 2.237 . . . . 0.0 115.372 -172.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -133.21 -24.95 1.81 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.25 126.41 18.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.087 1.312 . . . . 0.0 113.556 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 62.99 30.3 16.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.472 1.909 . . . . 0.0 113.424 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -60.29 -20.82 60.67 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.55 152.32 14.29 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.506 1.527 . . . . 0.0 113.006 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -75.72 142.2 42.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.609 1.195 . . . . 0.0 113.988 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -155.95 119.35 4.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 128.093 2.557 . . . . 0.0 104.4 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.23 -10.34 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.8 -32.25 21.88 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -73.82 147.0 43.77 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.987 0.812 . . . . 0.0 113.176 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -69.57 -31.87 70.31 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.383 1.473 . . . . 0.0 114.715 -170.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 t -107.1 110.73 22.91 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.933 0.893 . . . . 0.0 109.62 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -87.31 70.49 10.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.396 1.569 . . . . 0.0 107.325 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 36.66 0.07 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.809 2.044 . . . . 0.0 111.146 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.0 178.16 8.41 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.529 1.931 . . . . 0.0 114.4 -167.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -63.02 -20.84 65.7 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.72 1.69 23.21 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.615 1.098 . . . . 0.0 113.509 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 -33.27 74.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -64.39 -35.08 79.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.075 0.95 . . . . 0.0 112.531 -176.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -63.52 -15.74 58.78 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.361 1.865 . . . . 0.0 113.653 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.63 -9.59 10.21 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.36 1.464 . . . . 0.0 114.344 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 54.59 33.99 20.35 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.158 1.783 . . . . 0.0 113.504 -172.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.1 m -116.8 19.6 14.37 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.605 1.562 . . . . 0.0 113.231 -173.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 m -60.66 162.67 6.29 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.444 1.498 . . . . 0.0 113.516 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 147.26 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.463 1.105 . . . . 0.0 113.033 168.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -61.61 -11.34 11.0 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -136.99 27.54 2.93 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.19 1.396 . . . . 0.0 112.487 171.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -38.54 -49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.679 1.992 . . . . 0.0 114.943 -174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -10.88 41.06 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -173.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.72 -34.61 3.54 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 113.45 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -88.35 -36.42 16.62 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.1 -12.76 9.05 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -169.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 127.641 2.376 . . . . 0.0 113.488 -173.59 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -69.44 95.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.869 -1.144 . . . . 0.0 112.305 -169.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.29 0.18 14.3 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 127.084 2.278 . . . . 0.0 115.249 -173.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -133.52 -22.31 1.94 Allowed 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.96 129.09 19.96 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 57.66 23.83 9.86 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.435 2.294 . . . . 0.0 114.213 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.22 -24.36 67.84 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 119.849 -1.782 . . . . 0.0 114.863 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 161.15 12.49 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.79 1.662 . . . . 0.0 111.926 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.0 125.12 25.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.454 -1.027 . . . . 0.0 113.113 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -148.3 79.93 1.45 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.192 1.797 . . . . 0.0 110.338 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.56 -15.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.12 -6.43 51.17 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.97 2.108 . . . . 0.0 114.941 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -110.84 171.07 7.68 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.66 1.184 . . . . 0.0 113.199 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.94 -10.58 59.54 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.1 1.36 . . . . 0.0 114.491 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 p -139.92 149.64 43.58 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.221 1.408 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -106.53 63.53 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 169.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.7 m -68.56 43.87 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.234 2.214 . . . . 0.0 111.529 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -145.12 177.89 8.46 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -168.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.31 -18.23 57.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.599 2.36 . . . . 0.0 116.155 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -113.94 -4.5 13.25 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.693 1.197 . . . . 0.0 113.875 -169.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 p -60.11 -29.67 68.76 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -66.88 -8.52 29.7 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.53 1.532 . . . . 0.0 114.306 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -96.64 -41.66 8.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.505 1.522 . . . . 0.0 111.42 170.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -74.27 -23.59 59.14 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 65.68 1.34 1.73 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.463 2.305 . . . . 0.0 115.173 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -79.35 -0.6 33.31 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.97 1.708 . . . . 0.0 114.816 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -51.18 162.75 0.28 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 118.275 2.695 . . . . 0.0 118.275 -169.294 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.5 140.1 23.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.884 0.874 . . . . 0.0 111.256 169.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.7 p -63.21 -12.56 29.35 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -136.87 28.29 2.92 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 111.726 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 38.0 t80 -37.44 -50.04 1.06 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.95 2.1 . . . . 0.0 115.228 -173.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.53 -10.63 46.97 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.79 -39.2 2.75 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.405 1.082 . . . . 0.0 113.473 170.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.94 -34.92 32.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -118.87 -21.39 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -168.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt . . . . . 0 N--CA 1.482 1.152 0 C-N-CA 128.767 2.827 . . . . 0.0 116.217 -169.708 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -69.16 98.04 0.97 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.686 1.13 . . . . 0.0 111.815 -168.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.91 -8.27 6.08 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.788 2.137 . . . . 0.0 115.031 -170.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -134.4 -26.04 1.47 Allowed 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -44.49 147.26 0.6 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.6 24.44 8.54 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.235 1.814 . . . . 0.0 113.072 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.76 -12.33 61.49 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.16 131.57 7.06 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.385 1.469 . . . . 0.0 111.617 -169.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 57.3 t80 -70.24 142.77 52.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.086 1.354 . . . . 0.0 113.642 -171.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.08 113.16 3.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.918 1.687 . . . . 0.0 108.502 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 p -73.96 -8.51 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -171.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.35 -21.01 46.39 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -73.38 167.53 21.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.002 1.321 . . . . 0.0 113.43 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.02 -18.25 60.38 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.861 1.264 . . . . 0.0 113.482 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.6 p -141.47 150.13 41.83 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.239 1.816 . . . . 0.0 107.525 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -105.31 58.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 171.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -67.03 41.23 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 127.756 2.423 . . . . 0.0 114.239 -173.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -147.42 164.81 32.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.978 2.111 . . . . 0.0 112.768 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.54 -35.0 27.6 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.298 2.239 . . . . 0.0 116.961 -169.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -76.48 -13.94 60.07 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 p -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -172.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.2 p -68.32 -13.03 61.97 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 114.032 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -93.51 -44.2 8.35 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.447 1.499 . . . . 0.0 111.33 169.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 63.8 m-85 -75.17 -15.91 60.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 61.41 18.68 9.55 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.557 1.943 . . . . 0.0 114.844 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 p -100.31 -4.96 28.15 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.689 1.995 . . . . 0.0 114.85 -170.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.64 166.58 0.9 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 117.967 2.58 . . . . 0.0 117.967 -169.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 p -52.96 148.24 8.06 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.139 0.976 . . . . 0.0 110.672 168.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -54.04 -25.71 22.81 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.991 1.717 . . . . 0.0 115.02 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.28 29.43 3.66 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.236 1.414 . . . . 0.0 112.754 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.4 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 86.4 t80 -32.49 -58.14 0.33 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -7.46 28.69 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -31.56 4.27 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.294 1.438 . . . . 0.0 113.965 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -120.44 -16.62 8.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -169.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 1.8 m -120.77 1.03 10.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 125.533 1.533 . . . . 0.0 111.368 -171.303 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -66.71 101.31 0.79 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.359 0.981 . . . . 0.0 112.723 -168.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.83 28.56 73.46 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.038 1.78 . . . . 0.0 114.921 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -134.97 -36.16 0.83 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.2 m -46.87 138.86 5.94 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m 73.53 20.75 3.04 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.721 2.408 . . . . 0.0 112.738 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -62.55 -26.69 68.7 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.88 155.85 9.33 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.43 1.491 . . . . 0.0 112.94 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.03 132.96 35.4 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -158.68 102.52 1.7 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.535 1.934 . . . . 0.0 108.344 169.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.96 -10.15 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -76.98 -21.47 54.66 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -72.1 173.71 8.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.368 1.067 . . . . 0.0 113.536 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -80.23 -26.73 38.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.847 1.259 . . . . 0.0 112.778 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.58 145.82 51.44 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.432 1.11 . . . . 0.0 109.148 168.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -106.71 64.96 0.66 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -71.21 49.49 0.14 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.299 2.239 . . . . 0.0 110.74 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.36 178.41 7.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.858 1.663 . . . . 0.0 114.928 -168.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.61 -8.42 56.29 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -172.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.1 mt -120.04 -5.54 10.02 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.831 1.252 . . . . 0.0 113.516 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -59.33 -31.55 69.28 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -70.91 -31.27 67.85 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.176 -0.953 . . . . 0.0 112.618 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.6 -20.44 66.32 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.992 1.717 . . . . 0.0 112.966 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -106.57 -2.57 21.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.76 1.624 . . . . 0.0 113.78 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 48.06 36.32 6.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.479 1.912 . . . . 0.0 113.269 -171.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 p -110.31 -1.42 17.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.732 1.613 . . . . 0.0 114.977 -169.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.03 158.37 1.48 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 115.781 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.6 148.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.91 1.284 . . . . 0.0 112.952 169.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -57.03 -23.9 49.82 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.687 1.595 . . . . 0.0 114.61 -173.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -127.2 28.17 5.78 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.201 1.8 . . . . 0.0 111.501 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -44.48 -51.31 8.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.622 1.569 . . . . 0.0 114.17 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 p -67.07 -15.27 63.61 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.59 -23.36 11.86 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.995 1.318 . . . . 0.0 113.458 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.53 -51.41 2.17 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -89.22 -23.3 22.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -169.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? . . . . . 0 CA--C 1.55 0.947 0 C-N-CA 128.802 2.841 . . . . 0.0 115.629 -169.571 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -69.08 93.98 0.63 Allowed 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.79 -1.194 . . . . 0.0 111.558 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.08 16.66 34.67 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.93 1.729 . . . . 0.0 115.365 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -127.66 -23.78 3.38 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.88 1.84 . . . . 0.0 115.844 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 m -52.14 142.65 15.9 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 66.69 25.43 9.81 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.904 2.081 . . . . 0.0 113.385 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.06 -15.97 63.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.32 170.48 19.03 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.609 1.576 . . . . 0.0 112.176 -169.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -100.39 134.3 43.54 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.461 -1.023 . . . . 0.0 112.181 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -157.31 92.26 1.23 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.875 1.67 . . . . 0.0 108.493 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -56.29 -14.87 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.68 -25.45 63.89 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -69.86 153.63 43.04 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.66 -19.08 63.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.561 1.944 . . . . 0.0 114.104 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.8 p -140.59 148.03 40.33 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.211 1.404 . . . . 0.0 109.232 168.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.84 69.5 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 167.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.5 m -70.31 42.07 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.121 1.769 . . . . 0.0 111.821 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -152.01 172.99 15.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.239 1.816 . . . . 0.0 113.607 -169.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.05 -33.48 67.27 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.941 2.096 . . . . 0.0 115.908 -169.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.27 -4.96 59.27 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 p -60.98 -30.16 70.11 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -173.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -68.94 -5.2 19.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.813 1.245 . . . . 0.0 113.785 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -100.56 -9.31 22.13 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.6 1.96 . . . . 0.0 112.446 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -120.08 -11.2 9.29 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.835 1.654 . . . . 0.0 114.675 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 57.43 31.52 20.35 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.288 1.835 . . . . 0.0 113.926 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 p -120.69 20.94 11.65 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.881 2.072 . . . . 0.0 112.976 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.8 m -57.24 175.3 0.15 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.362 2.265 . . . . 0.0 114.548 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 m -50.47 162.26 0.25 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.086 0.954 . . . . 0.0 113.172 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -56.46 -27.74 57.74 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -143.47 41.12 1.46 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.166 1.386 . . . . 0.0 112.349 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -43.55 -48.92 7.56 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.303 1.841 . . . . 0.0 115.184 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 p -66.21 -14.13 61.42 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -10.24 9.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -120.1 -31.22 4.48 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.79 -21.91 6.46 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -169.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.5 tptt . . . . . 0 N--CA 1.478 0.925 0 C-N-CA 127.696 2.399 . . . . 0.0 113.074 -171.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 7.7 t . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.24 98.46 1.04 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.225 -1.547 . . . . 0.0 111.633 -169.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.85 11.82 31.57 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 126.084 1.802 . . . . 0.0 114.93 -171.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -131.47 -26.59 2.04 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 m -49.66 4.77 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 121.469 3.877 . . . . 0.0 121.469 -169.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.3 p -142.38 20.61 2.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.426 1.89 . . . . 0.0 112.112 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.91 -15.95 57.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.5 166.2 26.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.507 1.527 . . . . 0.0 113.302 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -107.4 136.12 47.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.401 1.081 . . . . 0.0 111.456 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -162.5 100.13 1.04 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.714 2.006 . . . . 0.0 105.87 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -11.85 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -169.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -74.82 -17.83 60.55 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.47 156.34 39.02 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.574 1.079 . . . . 0.0 112.716 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.97 -25.21 68.26 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.797 1.639 . . . . 0.0 113.603 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -141.6 158.42 43.86 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.837 1.255 . . . . 0.0 109.553 168.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -111.3 55.33 0.66 Allowed 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.769 1.227 . . . . 0.0 107.935 169.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.3 m -69.09 53.07 0.09 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.505 1.922 . . . . 0.0 111.552 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -154.63 169.14 24.57 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.426 2.291 . . . . 0.0 112.015 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.46 -10.61 0.26 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -117.46 -2.93 11.43 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.228 1.376 . . . . 0.0 114.597 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.4 p -69.19 -27.1 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -170.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -62.1 -29.11 70.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.379 0.991 . . . . 0.0 112.767 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -71.49 -16.7 62.36 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.05 2.14 . . . . 0.0 113.967 172.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -116.09 -15.11 11.15 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 54.29 29.66 11.14 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.136 1.774 . . . . 0.0 114.371 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 p -110.24 18.52 19.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.27 2.228 . . . . 0.0 113.057 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 179.61 7.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.693 1.597 . . . . 0.0 114.858 -170.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.97 162.06 4.5 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.932 0.893 . . . . 0.0 110.277 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.7 m -57.13 -28.43 62.71 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -172.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -139.61 33.16 2.03 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.38 1.072 . . . . 0.0 113.595 -170.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -36.05 -55.31 0.77 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -175.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.8 p -65.4 -9.04 21.76 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.25 -32.19 4.2 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.373 1.469 . . . . 0.0 113.708 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.56 -20.34 7.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.434 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 2.0 m -122.44 -0.13 9.33 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.1 pttt . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.121 0.968 . . . . 0.0 112.731 -170.772 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -69.03 97.93 0.92 Allowed 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.081 -1.012 . . . . 0.0 111.731 -168.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 32.7 76.94 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.986 1.279 . . . . 0.0 113.682 -169.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -34.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.37 153.34 43.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.18 29.15 3.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 128.456 2.702 . . . . 0.0 113.808 -175.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -20.89 60.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -173.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.41 144.93 15.07 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.592 1.568 . . . . 0.0 113.106 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -69.64 139.71 53.6 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 125.009 1.323 . . . . 0.0 114.045 -168.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -166.65 101.6 0.58 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.336 2.254 . . . . 0.0 107.009 168.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.73 -10.64 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.27 -20.66 60.78 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.54 1.136 . . . . 0.0 113.785 169.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -69.57 149.0 48.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.437 1.095 . . . . 0.0 111.635 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.13 -13.49 62.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.081 1.352 . . . . 0.0 113.516 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 p -142.23 144.05 33.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.9 1.68 . . . . 0.0 109.235 168.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -94.06 68.2 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.54 47.91 0.18 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.131 1.773 . . . . 0.0 110.45 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -154.31 179.87 8.58 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.874 1.67 . . . . 0.0 114.389 -169.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.53 -15.4 60.85 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -172.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.0 mt -111.53 1.82 17.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.993 1.269 . . . . 0.0 113.954 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 p -57.66 -36.76 72.32 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -68.57 -6.92 28.25 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.22 -13.91 27.74 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.455 1.902 . . . . 0.0 112.454 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.39 -15.98 8.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 65.62 3.66 2.52 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.572 2.349 . . . . 0.0 115.271 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 p -83.21 21.54 1.1 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.068 2.547 . . . . 0.0 113.958 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -58.52 160.34 5.52 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.901 1.68 . . . . 0.0 115.012 -176.25 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.05 155.13 8.7 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 122.976 0.51 . . . . 0.0 111.683 170.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 p -68.16 -14.05 62.68 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -170.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -137.27 15.73 3.0 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 -170.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 54.7 t80 -36.59 -62.8 0.44 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.726 2.41 . . . . 0.0 116.051 -169.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -2.73 16.12 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -172.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.65 -22.59 6.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.568 1.547 . . . . 0.0 113.32 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -120.62 -62.96 1.4 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.98 1.312 . . . . 0.0 114.052 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.53 -6.01 59.08 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptm . . . . . 0 CA--C 1.547 0.853 0 C-N-CA 127.979 2.511 . . . . 0.0 112.676 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 9.9 t . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -69.68 101.06 1.58 Allowed 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.039 -1.038 . . . . 0.0 110.697 -175.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.32 8.1 36.29 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.851 1.691 . . . . 0.0 114.988 -170.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -133.06 -38.18 0.97 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.633 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.9 m -38.7 142.96 0.17 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.325 42.3 p 70.94 38.2 1.18 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.854 2.462 . . . . 0.0 112.2 -169.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.86 -25.27 60.5 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.282 1.433 . . . . 0.0 114.429 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.7 155.44 10.16 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.407 1.003 . . . . 0.0 111.006 -168.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CE1' ' HB ' ' A' ' 15' ' ' VAL . 17.1 t80 -69.94 125.65 27.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.659 -0.907 . . . . 0.0 112.626 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -154.34 81.06 1.12 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.221 1.409 . . . . 0.0 109.23 172.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.419 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 2.3 p -56.65 -13.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -169.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.82 -22.67 65.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.919 1.288 . . . . 0.0 114.392 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -95.48 157.91 15.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -169.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.26 -26.07 68.61 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 t -136.0 135.52 39.56 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.569 0.747 . . . . 0.0 111.532 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -95.08 66.83 3.01 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 123.034 1.397 . . . . 0.0 107.256 168.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -81.22 52.3 1.78 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.198 1.799 . . . . 0.0 109.187 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -149.18 175.14 11.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.694 1.598 . . . . 0.0 114.215 -169.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.54 -23.11 65.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.945 2.098 . . . . 0.0 116.636 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -101.05 -1.64 33.68 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 120.275 1.398 . . . . 0.0 113.682 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.554 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 4.3 p -58.53 -22.03 54.12 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -73.6 -27.03 61.08 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.57 -29.04 65.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.487 1.115 . . . . 0.0 113.344 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 6.6 p90 -120.8 13.78 11.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.8 1.64 . . . . 0.0 114.126 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 45.74 48.77 11.62 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.678 2.391 . . . . 0.0 116.098 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -130.52 22.57 5.11 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -175.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.7 m -61.46 165.16 5.01 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.899 1.279 . . . . 0.0 114.42 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.68 154.54 0.67 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.761 1.225 . . . . 0.0 112.906 168.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -55.99 -20.44 16.48 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -141.71 36.33 1.62 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.97 1.308 . . . . 0.0 112.013 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.465 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 48.8 t80 -33.77 -54.84 0.46 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.086 2.155 . . . . 0.0 115.492 -177.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -11.05 58.61 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -172.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.41 -30.78 4.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.768 1.227 . . . . 0.0 114.117 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -103.72 -21.77 13.65 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 3.3 m -120.87 -28.66 4.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp . . . . . 0 CA--C 1.55 0.98 0 C-N-CA 129.525 3.13 . . . . 0.0 116.317 -169.606 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 118.314 2.709 . . . . 0.0 118.314 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -68.49 100.0 1.04 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.807 1.64 . . . . 0.0 111.977 -168.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.43 15.7 75.63 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 126.368 1.937 . . . . 0.0 115.212 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -141.4 -28.68 0.65 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -169.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -58.78 141.54 52.71 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 120.826 1.648 . . . . 0.0 115.245 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 59.35 29.89 19.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.467 2.707 . . . . 0.0 113.815 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.73 -14.34 60.33 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.94 129.97 5.89 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.151 1.357 . . . . 0.0 110.141 -168.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.412 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 77.0 t80 -69.14 139.74 54.69 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -150.9 112.85 4.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.39 1.876 . . . . 0.0 108.313 169.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -73.46 -6.4 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.44 -17.62 48.15 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.544 1.138 . . . . 0.0 113.999 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.68 169.23 13.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.971 1.308 . . . . 0.0 112.104 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -75.72 -51.83 11.82 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.201 -0.937 . . . . 0.0 110.302 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 p -93.46 157.56 16.15 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 167.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -115.22 69.93 0.73 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 168.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 98.9 m -70.31 38.46 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.31 1.844 . . . . 0.0 112.655 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -149.58 165.0 33.58 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.578 -1.326 . . . . 0.0 113.241 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.55 -35.67 13.84 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.797 2.439 . . . . 0.0 116.699 -169.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -80.29 -11.82 59.68 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.9 p -60.31 -27.9 67.69 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -173.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -74.66 -11.26 60.14 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.395 1.078 . . . . 0.0 113.696 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -90.33 -42.99 10.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 110.126 169.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 49.9 m-85 -75.29 -8.85 57.76 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 177.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 56.08 39.52 30.39 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.853 1.661 . . . . 0.0 112.892 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.5 p -124.23 5.14 8.49 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -52.89 159.35 1.16 Allowed 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 11.3 m -39.9 156.28 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.346 1.859 . . . . 0.0 115.581 173.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 m -54.53 -27.09 35.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.046 1.338 . . . . 0.0 113.775 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.49 24.45 3.18 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.385 1.474 . . . . 0.0 113.387 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -36.25 -54.46 0.81 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.736 2.015 . . . . 0.0 115.825 -170.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 p -70.35 -10.38 58.86 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.21 -14.23 11.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.448 1.499 . . . . 0.0 112.985 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -120.64 -72.01 0.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.542 1.537 . . . . 0.0 112.786 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 m -74.81 -21.81 59.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -168.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 129.011 2.924 . . . . 0.0 114.149 -172.163 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 CA--C 1.546 0.813 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 130.93 46.51 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.294 -1.504 . . . . 0.0 111.768 -168.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.54 -1.22 88.37 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 125.835 1.684 . . . . 0.0 115.681 -173.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.28 -22.37 1.76 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.2 m -45.48 143.75 1.76 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 59.51 31.05 20.74 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.32 2.248 . . . . 0.0 113.381 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.95 -20.62 65.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 161.97 22.56 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.258 1.409 . . . . 0.0 113.367 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -70.24 135.3 48.87 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.891 1.276 . . . . 0.0 113.818 -175.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -161.16 90.66 0.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.753 1.621 . . . . 0.0 109.801 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -62.82 -9.41 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.35 -26.48 64.7 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.945 -1.097 . . . . 0.0 113.158 169.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -76.0 149.18 37.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.33 1.052 . . . . 0.0 113.114 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.69 -15.84 63.18 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.981 1.713 . . . . 0.0 114.551 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 t -137.32 130.66 31.07 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.805 1.242 . . . . 0.0 111.072 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -87.5 73.74 9.44 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 m -81.1 47.04 0.97 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.07 1.348 . . . . 0.0 109.67 -174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -151.77 177.47 10.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.811 2.044 . . . . 0.0 114.303 -168.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.58 -20.75 63.66 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -171.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.1 mt -106.71 4.3 27.61 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.927 1.24 . . . . 0.0 113.485 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -61.11 -34.73 75.42 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -169.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.0 p -73.56 -28.87 62.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.727 0.811 . . . . 0.0 112.542 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -64.43 -17.31 63.68 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.022 1.729 . . . . 0.0 112.736 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -112.84 0.88 15.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.932 1.693 . . . . 0.0 113.79 172.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 47.35 35.52 4.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.0 1.72 . . . . 0.0 113.451 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -125.1 19.38 8.34 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.286 1.434 . . . . 0.0 113.741 -169.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.1 m -61.24 159.21 12.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.091 1.356 . . . . 0.0 113.82 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.61 151.26 2.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.916 0.887 . . . . 0.0 111.04 168.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.9 p -56.86 -17.44 9.41 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -135.58 28.95 3.28 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.475 1.91 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.464 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 62.3 t80 -42.49 -52.7 4.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.938 1.295 . . . . 0.0 114.207 -172.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 p -66.22 -9.7 34.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.29 -27.24 5.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.314 1.446 . . . . 0.0 113.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.21 -21.09 7.11 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -173.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 1.4 m -120.85 -15.63 8.3 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -175.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 126.642 1.977 . . . . 0.0 112.64 -171.728 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -69.59 117.93 11.82 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.209 -0.932 . . . . 0.0 110.812 -169.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.01 10.16 85.22 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.705 1.145 . . . . 0.0 115.027 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -134.73 -30.31 1.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.34 125.54 9.71 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.426 1.012 . . . . 0.0 113.177 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m 64.07 28.76 14.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.403 1.881 . . . . 0.0 113.282 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.03 -15.04 61.89 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.47 7.53 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.832 1.682 . . . . 0.0 112.424 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.65 135.92 50.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.277 1.031 . . . . 0.0 112.301 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -162.24 101.95 1.1 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.766 2.027 . . . . 0.0 106.444 169.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.272 6.2 p -60.99 -8.23 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.32 -23.5 61.17 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.868 1.267 . . . . 0.0 113.79 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -69.48 146.57 51.82 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.852 1.261 . . . . 0.0 112.109 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -63.04 -27.09 69.17 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.3 t -129.51 133.65 47.36 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.45 1.1 . . . . 0.0 109.964 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -91.37 65.91 5.42 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 168.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.3 m -77.68 43.47 0.41 Allowed 'General case' 0 CA--C 1.554 1.11 0 O-C-N 120.624 -1.298 . . . . 0.0 110.188 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -142.14 164.54 29.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.995 1.718 . . . . 0.0 114.004 -169.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.39 -12.56 1.72 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.534 2.733 . . . . 0.0 117.465 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.09 -2.63 16.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.519 1.528 . . . . 0.0 113.766 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.32 -30.4 70.79 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -170.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.5 p -69.43 -26.61 64.69 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.534 -0.728 . . . . 0.0 112.388 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.89 -19.33 65.0 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.226 1.811 . . . . 0.0 112.77 169.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -108.1 -6.39 16.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.028 1.731 . . . . 0.0 114.034 173.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 51.45 37.17 18.58 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.539 1.936 . . . . 0.0 114.068 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 p -127.16 17.47 7.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.514 1.526 . . . . 0.0 114.241 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 m -61.23 170.53 1.67 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.994 1.718 . . . . 0.0 114.418 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -47.11 152.3 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.004 0.922 . . . . 0.0 112.822 169.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -50.75 -27.33 6.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.099 1.76 . . . . 0.0 114.628 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.94 18.93 5.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.431 1.492 . . . . 0.0 113.18 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -31.81 -58.85 0.28 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.0 2.12 . . . . 0.0 115.172 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -9.34 32.12 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -171.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -27.71 5.17 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.104 1.361 . . . . 0.0 113.823 173.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -120.25 -18.77 7.91 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -120.35 -9.5 9.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 176.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 tttt . . . . . 0 CA--C 1.55 0.944 0 C-N-CA 127.689 2.395 . . . . 0.0 114.776 -169.704 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.763 -0.088 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -150.58 156.2 40.91 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.161 1.384 . . . . 0.0 111.027 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.55 177.09 8.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.244 1.417 . . . . 0.0 112.435 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.0 p -144.91 177.39 8.78 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.872 1.669 . . . . 0.0 111.198 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 t -62.45 -9.27 7.94 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -69.36 104.04 2.16 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.226 -1.546 . . . . 0.0 111.013 -170.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.07 6.16 45.91 Favored Glycine 0 CA--C 1.543 1.804 0 C-N-CA 126.08 1.8 . . . . 0.0 115.093 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -132.38 -21.39 2.3 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -170.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.5 120.48 6.71 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 m 52.12 42.89 30.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.646 1.978 . . . . 0.0 113.312 -172.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -63.29 -21.49 66.28 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.29 153.15 25.95 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.559 1.552 . . . . 0.0 113.114 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -69.8 133.31 47.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.449 1.1 . . . . 0.0 113.844 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -160.53 89.41 0.82 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.125 1.77 . . . . 0.0 108.568 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 p -57.74 -13.57 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 -169.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.17 -27.44 66.42 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.064 -1.023 . . . . 0.0 113.6 170.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -72.26 148.31 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.344 1.057 . . . . 0.0 113.221 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -64.23 -23.14 67.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.412 1.485 . . . . 0.0 114.754 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -130.53 125.65 34.8 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 111.337 169.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -85.97 69.77 10.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 167.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -75.84 48.15 0.46 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.724 1.61 . . . . 0.0 109.885 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -152.45 -179.89 7.97 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.544 1.938 . . . . 0.0 115.116 -168.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -61.47 -19.75 62.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.698 2.399 . . . . 0.0 116.87 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.2 mt -109.6 1.33 19.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.913 1.233 . . . . 0.0 113.806 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.8 p -63.17 -30.62 71.73 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -172.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 p -64.05 -33.84 76.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.248 0.931 . . . . 0.0 112.828 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -67.12 -15.18 63.56 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.701 2.0 . . . . 0.0 113.535 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -120.17 -9.28 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 52.06 39.79 27.17 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.787 1.635 . . . . 0.0 113.695 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 p -129.1 21.5 5.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.755 2.022 . . . . 0.0 112.995 -171.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -76.41 166.99 22.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.15 1.78 . . . . 0.0 114.594 -175.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.02 148.78 7.37 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.797 0.839 . . . . 0.0 111.547 168.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 p -58.01 -19.01 27.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -143.43 38.65 1.39 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.092 1.357 . . . . 0.0 112.185 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.409 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 42.6 t80 -38.8 -52.11 1.72 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.918 1.687 . . . . 0.0 114.42 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -11.29 57.42 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.56 -12.67 8.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.061 1.345 . . . . 0.0 114.439 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -118.14 -36.53 3.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.17 -6.27 10.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.562 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -45.96 120.1 5.18 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.929 2.092 . . . . 0.0 112.009 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.13 158.83 0.29 Allowed 'Trans proline' 0 CA--C 1.539 0.749 1 C-N-CA 125.697 4.264 . . . . 0.0 115.302 172.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -55.2 142.71 30.23 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.04 50.65 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 127.153 2.181 . . . . 0.0 109.746 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.3 p -51.03 141.06 14.55 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.046 1.738 . . . . 0.0 113.474 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -119.37 -21.34 7.51 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -169.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 138.4 -7.68 3.41 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.854 1.216 . . . . 0.0 114.78 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -134.6 14.88 3.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.666 1.986 . . . . 0.0 113.342 -171.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -151.44 128.25 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.046 1.738 . . . . 0.0 110.236 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -146.26 30.82 1.02 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.653 1.581 . . . . 0.0 111.333 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.4 m -131.35 147.52 52.58 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.259 1.423 . . . . 0.0 111.457 -169.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.484 1.914 . . . . 0.0 111.16 178.924 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -142.85 141.98 31.7 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.008 1.323 . . . . 0.0 111.294 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -82.6 79.4 9.03 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.736 1.214 . . . . 0.0 111.475 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.5 p -152.34 178.32 9.65 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.332 1.053 . . . . 0.0 112.793 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t -70.06 1.77 4.29 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -174.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 117.41 10.66 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 119.799 -1.813 . . . . 0.0 109.704 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.57 79.22 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.816 1.198 . . . . 0.0 115.191 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -129.11 -21.69 3.25 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.5 m -56.94 127.54 32.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.395 0.998 . . . . 0.0 113.256 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m 53.25 38.96 28.96 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.857 2.063 . . . . 0.0 113.957 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.36 -19.24 65.4 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.89 143.48 14.97 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.144 1.354 . . . . 0.0 113.543 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.82 137.61 51.95 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.026 1.331 . . . . 0.0 114.393 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -167.87 98.17 0.46 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.401 2.28 . . . . 0.0 106.523 169.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -59.33 -11.1 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -169.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -75.36 -18.05 60.07 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.76 149.53 47.88 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.093 . . . . 0.0 112.073 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -62.91 -27.5 69.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.1 t -132.23 132.18 42.84 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.334 1.054 . . . . 0.0 110.583 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -87.52 67.98 9.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 168.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.9 m -79.29 53.05 1.42 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.279 1.432 . . . . 0.0 108.92 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -149.82 -179.5 7.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 115.498 -168.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.04 -13.71 62.19 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.299 2.24 . . . . 0.0 116.88 -174.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.45 0.51 11.63 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.114 1.325 . . . . 0.0 113.338 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -63.53 -32.42 73.88 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -71.65 -29.14 64.29 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 112.529 -174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.82 -17.8 64.56 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.391 1.877 . . . . 0.0 113.043 169.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.21 -2.37 14.93 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.933 1.693 . . . . 0.0 113.799 173.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 49.37 38.82 14.86 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.393 1.877 . . . . 0.0 113.703 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 p -127.96 17.7 6.71 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.376 1.471 . . . . 0.0 114.264 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.6 m -61.35 164.33 5.66 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.257 1.423 . . . . 0.0 114.002 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.33 155.71 0.48 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.848 1.259 . . . . 0.0 113.533 168.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 m -51.02 -28.32 9.8 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.858 2.063 . . . . 0.0 115.227 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -139.01 32.11 2.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.117 1.367 . . . . 0.0 112.252 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -34.89 -50.96 0.5 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.156 2.183 . . . . 0.0 115.931 -171.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -11.85 53.79 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.57 -31.51 4.28 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.478 1.111 . . . . 0.0 113.471 170.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.95 -37.17 17.84 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.95 -10.32 9.11 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -40.25 109.21 0.57 Allowed Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.699 1.999 . . . . 0.0 113.675 -170.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.91 157.82 7.38 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 124.555 3.503 . . . . 0.0 114.616 172.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.92 119.2 8.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.713 0.805 . . . . 0.0 111.365 174.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.7 t -70.17 140.77 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.559 1.143 . . . . 0.0 110.495 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -73.69 53.27 0.43 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.259 1.824 . . . . 0.0 112.521 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.94 -33.84 72.44 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.814 1.646 . . . . 0.0 114.206 -170.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 142.48 -28.97 2.17 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.0 1.286 . . . . 0.0 113.987 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -128.26 10.05 6.24 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.202 1.801 . . . . 0.0 113.144 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -152.56 146.37 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 128.22 2.608 . . . . 0.0 108.714 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -164.87 -43.75 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.53 1.132 . . . . 0.0 113.276 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 t -140.23 21.1 2.42 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.38 1.072 . . . . 0.0 113.231 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 C--O 1.251 1.139 0 C-N-CA 127.048 2.139 . . . . 0.0 111.514 -177.328 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.486 0.184 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -69.92 163.65 25.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.701 1.2 . . . . 0.0 113.429 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -71.0 79.27 0.65 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.283 1.433 . . . . 0.0 111.926 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.6 t -69.55 161.3 29.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.831 0.824 . . . . 0.0 111.12 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t -119.91 -5.75 10.08 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.502 1.521 . . . . 0.0 113.856 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -69.71 90.57 0.59 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.59 1.156 . . . . 0.0 112.14 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.05 -2.55 5.15 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 126.784 2.135 . . . . 0.0 114.902 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -134.11 -30.53 1.19 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 m -48.66 145.77 3.47 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -169.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m 67.7 24.01 8.5 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.652 1.581 . . . . 0.0 112.471 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.53 -18.64 64.04 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.617 -1.302 . . . . 0.0 114.434 171.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.69 155.93 11.25 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.554 1.55 . . . . 0.0 113.643 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -70.03 135.18 49.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.437 1.495 . . . . 0.0 113.124 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -161.01 84.65 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.52 1.528 . . . . 0.0 109.717 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -58.76 -12.15 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.81 -22.94 65.15 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.772 1.229 . . . . 0.0 114.14 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -93.56 157.27 16.28 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -169.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.34 -22.25 64.75 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.65 1.98 . . . . 0.0 115.245 -170.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 p -138.26 143.99 40.32 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.951 0.9 . . . . 0.0 110.458 169.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -97.26 70.47 2.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.0 m -74.43 46.88 0.28 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.549 1.54 . . . . 0.0 110.556 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.3 -179.63 7.52 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.696 1.999 . . . . 0.0 114.428 -168.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.48 -19.04 65.32 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.446 2.299 . . . . 0.0 116.643 -171.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -110.65 4.08 19.85 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.76 1.224 . . . . 0.0 113.265 -171.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 p -59.79 -37.29 78.7 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.4 p -75.64 -29.0 59.01 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.758 0.823 . . . . 0.0 112.851 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -63.42 -21.83 66.52 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.623 1.569 . . . . 0.0 112.914 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -107.98 1.56 22.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.537 1.535 . . . . 0.0 113.719 172.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 47.07 36.95 4.63 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.949 1.7 . . . . 0.0 113.257 -172.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -125.96 20.26 7.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.265 1.426 . . . . 0.0 113.898 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 m -53.99 165.09 0.51 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.954 1.301 . . . . 0.0 113.283 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 155.22 1.64 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.468 -0.77 . . . . 0.0 112.507 173.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.8 p -53.48 -25.91 18.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.153 1.381 . . . . 0.0 114.499 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -141.44 38.45 1.7 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.764 1.226 . . . . 0.0 112.164 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 37.4 t80 -34.38 -51.11 0.45 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.386 1.875 . . . . 0.0 114.147 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -12.08 59.34 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.72 -15.85 7.35 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -120.02 -19.48 7.81 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.2 m -123.04 -13.62 7.75 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -47.43 113.96 2.81 Favored Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 127.275 2.23 . . . . 0.0 113.581 -172.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.2 129.76 29.79 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.689 2.926 . . . . 0.0 112.088 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -70.65 140.23 51.51 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.387 0.675 . . . . 0.0 110.794 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.2 m -143.67 162.52 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.596 1.559 . . . . 0.0 111.981 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.4 m -57.09 124.21 17.95 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.836 1.254 . . . . 0.0 111.015 173.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.55 164.22 38.61 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.347 1.459 . . . . 0.0 111.547 -174.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.31 16.72 58.21 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.311 1.434 . . . . 0.0 113.962 170.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -149.97 178.44 8.92 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.891 2.476 . . . . 0.0 109.176 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.7 m -122.82 149.68 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.904 -1.123 . . . . 0.0 113.157 -175.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -149.89 130.0 13.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.161 1.784 . . . . 0.0 109.669 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.7 p -144.29 167.07 23.32 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.426 1.49 . . . . 0.0 112.236 -171.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.4 mtp . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.119 1.768 . . . . 0.0 113.628 -178.747 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.233 0.063 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -141.56 166.7 24.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.5 1.52 . . . . 0.0 111.685 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -136.99 170.98 15.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.177 1.791 . . . . 0.0 110.393 171.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.2 p -136.8 165.79 25.11 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.397 1.079 . . . . 0.0 112.529 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.16 0.85 39.06 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 117.375 2.361 . . . . 0.0 117.375 -169.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -69.16 113.34 6.43 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.339 -1.476 . . . . 0.0 110.581 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.94 15.57 74.71 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.297 1.427 . . . . 0.0 114.955 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -133.73 -24.19 1.75 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.6 m -48.89 126.13 11.63 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.846 1.203 . . . . 0.0 113.896 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 67.07 31.04 7.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.516 1.927 . . . . 0.0 113.817 -176.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.72 -15.73 61.88 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.14 126.76 4.62 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.168 1.366 . . . . 0.0 111.969 -169.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.68 149.36 48.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.172 1.389 . . . . 0.0 113.998 -172.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -163.42 114.08 1.38 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.135 2.574 . . . . 0.0 105.544 168.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.6 -14.03 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.55 -16.99 60.2 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.46 156.57 38.65 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.05 0.94 . . . . 0.0 111.253 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -77.32 -9.52 58.88 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 p -143.79 149.5 37.15 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.687 1.995 . . . . 0.0 107.331 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -109.2 64.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 169.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.3 42.36 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.522 1.929 . . . . 0.0 111.743 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -149.36 169.23 21.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.06 2.144 . . . . 0.0 113.25 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.67 -36.84 62.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.493 2.317 . . . . 0.0 116.244 -170.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.6 mt -85.06 -1.74 57.18 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -172.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p -62.26 -34.97 77.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 m -63.87 -28.15 69.65 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.004 0.922 . . . . 0.0 113.287 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.76 -14.57 62.84 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.077 1.751 . . . . 0.0 113.424 173.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -117.38 -18.24 9.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.426 1.49 . . . . 0.0 114.204 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 60.21 5.98 0.92 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.611 2.364 . . . . 0.0 115.425 -172.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m -75.42 -0.65 20.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.677 1.991 . . . . 0.0 114.8 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -50.64 162.21 0.27 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.961 2.504 . . . . 0.0 117.385 -169.671 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -50.42 136.73 20.05 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.692 0.797 . . . . 0.0 110.817 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -62.42 -8.25 5.78 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -169.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -138.07 25.11 2.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.241 1.416 . . . . 0.0 112.624 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.404 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 51.2 t80 -33.51 -50.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.045 2.138 . . . . 0.0 115.267 -177.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 p -63.67 -12.7 36.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -27.7 5.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.894 1.278 . . . . 0.0 113.155 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -91.46 -44.35 9.17 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -9.05 9.48 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -42.84 112.79 1.21 Allowed Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 127.803 2.441 . . . . 0.0 112.157 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.57 166.49 29.68 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.424 3.416 . . . . 0.0 111.921 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.92 146.61 54.51 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.932 0.893 . . . . 0.0 112.861 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.0 t -143.82 135.24 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.092 1.757 . . . . 0.0 109.471 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -82.35 153.52 25.73 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.968 0.907 . . . . 0.0 113.194 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.64 -27.64 67.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.034 1.334 . . . . 0.0 112.125 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.51 -24.71 10.22 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.296 1.903 . . . . 0.0 112.569 -173.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -150.43 123.96 9.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.314 1.845 . . . . 0.0 109.999 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.71 148.89 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.804 1.642 . . . . 0.0 109.794 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -66.01 -26.37 67.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -158.91 154.57 26.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.98 1.312 . . . . 0.0 111.789 170.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.8 ttm . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.628 1.971 . . . . 0.0 111.103 173.157 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -136.62 79.73 1.78 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.137 1.375 . . . . 0.0 110.348 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -71.15 171.59 10.72 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.696 1.598 . . . . 0.0 112.445 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.6 p -144.29 175.17 10.29 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.305 1.042 . . . . 0.0 113.156 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 8.3 t -72.55 -7.55 50.67 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -69.74 91.07 0.61 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.443 1.474 . . . . 0.0 111.446 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.77 3.4 8.42 Favored Glycine 0 CA--C 1.543 1.811 0 C-N-CA 126.742 2.115 . . . . 0.0 114.545 -171.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -132.1 -35.04 1.23 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 -169.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -46.15 130.86 10.31 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 67.92 27.7 7.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.123 2.169 . . . . 0.0 113.598 -171.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -21.35 64.32 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.148 -1.595 . . . . 0.0 114.744 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.17 153.09 29.2 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.054 1.311 . . . . 0.0 112.81 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.56 136.83 49.58 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -164.7 89.87 0.52 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.506 1.922 . . . . 0.0 108.789 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.263 3.1 p -58.89 -8.21 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -169.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.3 -28.48 66.31 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.909 -1.12 . . . . 0.0 113.097 169.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -72.28 154.23 41.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.5 1.12 . . . . 0.0 113.721 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.98 -23.59 66.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.397 1.879 . . . . 0.0 114.503 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 p -137.39 147.88 45.79 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.454 1.102 . . . . 0.0 110.095 169.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -102.45 66.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 168.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.1 m -72.67 47.9 0.19 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.649 1.98 . . . . 0.0 110.85 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -150.19 -179.82 7.5 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.439 1.896 . . . . 0.0 114.273 -168.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.42 -20.05 66.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -172.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.8 mt -104.35 -11.3 17.21 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.171 1.35 . . . . 0.0 114.142 -170.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 p -60.05 -28.41 67.76 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -63.99 -20.82 66.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.035 1.334 . . . . 0.0 113.08 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -92.46 -44.91 8.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.398 . . . . 0.0 111.627 169.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -73.15 -9.25 58.52 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 55.78 39.67 30.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.258 1.823 . . . . 0.0 113.211 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.2 p -130.28 14.65 5.61 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.893 1.677 . . . . 0.0 114.943 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.78 161.58 7.81 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 157.6 10.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.306 1.042 . . . . 0.0 111.594 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.6 p -57.3 -22.62 43.07 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -169.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -140.5 32.56 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.67 1.188 . . . . 0.0 112.365 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.418 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 63.0 t80 -29.82 -56.11 0.17 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.679 2.392 . . . . 0.0 116.01 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -10.27 51.51 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -30.19 4.58 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -104.81 -24.71 12.86 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.8 m -120.84 -9.06 9.35 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -175.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -38.51 105.38 0.34 Allowed Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 126.969 2.107 . . . . 0.0 113.349 -169.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -79.05 -169.46 0.8 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.475 3.45 . . . . 0.0 112.147 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 150.9 2.03 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.75 1.22 . . . . 0.0 112.9 172.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.3 t -131.12 142.22 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.014 1.726 . . . . 0.0 110.419 -174.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.3 p -142.4 170.12 16.3 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.009 1.324 . . . . 0.0 111.88 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -14.19 53.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.106 1.762 . . . . 0.0 114.137 171.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.31 -48.32 2.8 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.871 1.7 . . . . 0.0 113.243 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.2 -19.56 60.49 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.6 m -148.69 160.87 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 128.321 2.648 . . . . 0.0 110.77 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -74.72 -13.76 60.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 m -58.36 145.99 36.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.931 1.292 . . . . 0.0 111.079 172.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 124.715 1.206 . . . . 0.0 113.414 174.559 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 110.649 -0.13 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -139.35 172.51 12.72 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.345 1.858 . . . . 0.0 111.37 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -143.71 140.04 29.8 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.655 1.182 . . . . 0.0 111.662 -174.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.4 t -70.52 150.27 46.3 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.706 1.202 . . . . 0.0 114.099 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 28.3 t -76.38 -7.39 54.92 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 170.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -68.81 104.09 1.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.715 1.143 . . . . 0.0 112.097 -168.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.14 -4.09 20.41 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 126.246 1.879 . . . . 0.0 114.906 -173.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -131.45 -28.51 1.86 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -169.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -38.16 124.61 1.22 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 66.91 27.73 8.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.616 2.367 . . . . 0.0 114.064 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -67.32 -15.07 63.48 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.6 138.14 10.12 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.11 1.338 . . . . 0.0 110.416 -168.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.4 ' CZ ' ' CE2' ' A' ' 28' ' ' TYR . 74.9 t80 -69.62 142.35 53.51 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.397 1.079 . . . . 0.0 113.669 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -156.08 94.31 1.51 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.842 1.657 . . . . 0.0 109.4 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.91 -13.49 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.72 -27.63 65.13 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -71.22 151.86 43.9 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -60.48 -28.57 68.45 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.495 1.518 . . . . 0.0 114.0 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.6 145.13 50.27 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.685 0.755 . . . . 0.0 110.745 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -100.31 65.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 168.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -67.15 38.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 127.341 2.256 . . . . 0.0 112.781 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -151.2 166.39 31.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.371 1.868 . . . . 0.0 113.071 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.46 -38.71 55.11 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.496 2.318 . . . . 0.0 116.085 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.97 -8.43 56.93 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 p -57.65 -27.71 63.07 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -63.68 -9.81 15.93 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.697 1.599 . . . . 0.0 114.2 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -111.17 -6.96 14.5 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.837 2.055 . . . . 0.0 112.582 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' CE2' ' CZ ' ' A' ' 13' ' ' PHE . 50.8 m-85 -120.08 -7.98 9.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 53.71 31.0 12.02 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.576 1.55 . . . . 0.0 113.761 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.1 m -127.74 21.11 6.5 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.268 1.827 . . . . 0.0 112.329 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.86 167.11 14.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.45 1.5 . . . . 0.0 114.3 -176.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.68 148.13 35.05 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.796 -0.565 . . . . 0.0 110.024 168.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -57.84 -23.04 50.94 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.549 1.54 . . . . 0.0 115.088 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.46 35.07 3.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 111.38 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.475 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 64.9 t80 -42.18 -52.37 4.39 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 p -65.31 -11.52 42.59 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.17 -25.25 5.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.743 1.217 . . . . 0.0 113.797 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -120.43 -20.56 7.16 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.7 m -120.92 -17.2 7.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -174.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -50.36 118.08 8.88 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.421 1.888 . . . . 0.0 112.567 -169.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -46.94 145.93 6.5 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 125.017 3.811 . . . . 0.0 114.387 172.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -76.24 82.87 3.03 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.005 0.922 . . . . 0.0 111.075 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.71 142.64 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.294 1.438 . . . . 0.0 111.147 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.6 p -130.53 30.45 4.69 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.548 1.539 . . . . 0.0 112.897 -176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -62.75 -23.29 67.12 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.942 2.097 . . . . 0.0 115.059 -174.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.82 14.35 63.17 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.562 1.077 . . . . 0.0 113.81 -171.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -141.92 28.7 1.73 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.038 1.735 . . . . 0.0 111.752 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.64 159.05 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.098 1.759 . . . . 0.0 110.738 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -98.47 0.16 44.63 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -174.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -81.49 4.29 21.71 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.707 1.603 . . . . 0.0 114.128 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.3 ptm . . . . . 0 C--O 1.254 1.292 0 C-N-CA 126.788 2.035 . . . . 0.0 113.232 -174.673 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -136.55 164.88 27.16 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.284 1.434 . . . . 0.0 111.917 -169.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -140.32 167.79 21.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.987 1.715 . . . . 0.0 111.221 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.6 p -69.93 165.23 22.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.54 1.136 . . . . 0.0 113.448 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 t -67.84 -0.42 4.2 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -69.12 120.51 15.07 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.124 -1.61 . . . . 0.0 110.897 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.09 12.53 84.28 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.282 1.42 . . . . 0.0 115.191 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -133.33 -26.75 1.63 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -49.1 132.51 19.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.613 1.097 . . . . 0.0 113.906 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 62.64 27.94 16.39 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.029 2.132 . . . . 0.0 114.029 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.16 -19.92 65.98 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.22 151.06 7.88 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 124.944 1.259 . . . . 0.0 111.86 -169.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.25 138.78 54.24 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.167 -1.196 . . . . 0.0 112.765 -169.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -148.43 102.43 3.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.434 1.493 . . . . 0.0 107.277 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -50.73 -24.04 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 126.58 1.952 . . . . 0.0 114.78 -169.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.67 -21.57 55.22 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.72 150.2 47.2 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.414 1.085 . . . . 0.0 113.211 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.84 -38.27 86.09 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.389 1.476 . . . . 0.0 112.335 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.47 167.24 10.61 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.345 1.058 . . . . 0.0 108.634 168.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -125.07 69.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 169.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.9 m -73.32 38.48 0.09 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.288 1.835 . . . . 0.0 112.293 -171.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -144.57 177.7 8.49 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.28 -30.96 67.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.669 1.988 . . . . 0.0 115.784 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.6 mt -92.6 -0.72 57.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.121 0.968 . . . . 0.0 113.267 -173.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.7 p -63.19 -30.28 71.46 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -70.01 -31.61 69.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.057 0.943 . . . . 0.0 112.783 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -63.22 -22.65 67.0 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.444 1.097 . . . . 0.0 113.099 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -107.83 -12.06 15.26 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.951 1.3 . . . . 0.0 114.185 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 53.56 41.63 32.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.825 1.65 . . . . 0.0 112.685 -169.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.1 m -122.39 17.6 10.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.369 1.468 . . . . 0.0 113.845 -172.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 m -58.78 163.75 3.18 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.797 1.639 . . . . 0.0 115.242 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.19 151.67 12.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.541 1.136 . . . . 0.0 111.057 168.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.5 p -60.99 -18.92 60.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -172.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -133.38 30.93 3.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.91 1.684 . . . . 0.0 111.717 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -36.93 -53.25 0.95 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.417 1.887 . . . . 0.0 115.308 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 p -65.9 -12.19 52.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.35 -15.65 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.711 1.604 . . . . 0.0 113.919 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -120.28 -31.52 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.51 -25.32 5.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 120.27 1.396 . . . . 0.0 113.173 -169.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -37.27 101.51 0.22 Allowed Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 128.777 2.831 . . . . 0.0 113.101 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -62.5 16.31 0.05 OUTLIER 'Trans proline' 0 CA--C 1.544 0.978 1 C-N-CA 125.675 4.25 . . . . 0.0 119.515 -174.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -163.94 136.59 5.1 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.199 2.199 . . . . 0.0 110.452 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.08 40.39 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.207 1.003 . . . . 0.0 111.483 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 m -59.92 128.77 38.5 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.409 1.484 . . . . 0.0 111.476 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -135.2 4.98 3.24 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.362 1.465 . . . . 0.0 114.457 -175.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.43 0.23 89.36 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.642 1.115 . . . . 0.0 115.218 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -139.66 17.57 2.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.966 1.706 . . . . 0.0 112.186 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.0 p -157.27 160.51 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.928 2.091 . . . . 0.0 110.28 -172.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -57.62 157.83 6.68 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.554 1.142 . . . . 0.0 113.301 175.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.4 p -77.21 13.94 1.03 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.022 1.729 . . . . 0.0 115.471 -172.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.0 ttp . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.694 1.598 . . . . 0.0 111.38 176.089 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 110.844 -0.058 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -133.63 166.63 22.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.336 1.455 . . . . 0.0 111.519 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.02 179.56 7.78 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.337 1.455 . . . . 0.0 112.937 -169.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.6 t -140.58 146.36 37.91 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.91 1.284 . . . . 0.0 111.408 174.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.4 t -76.25 -5.02 45.08 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 79.96 0.39 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.73 1.212 . . . . 0.0 111.964 -170.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.74 -0.8 4.21 Favored Glycine 0 CA--C 1.544 1.845 0 C-N-CA 127.006 2.241 . . . . 0.0 115.104 -171.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -131.15 -27.26 2.04 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -45.81 128.83 9.08 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -170.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 55.86 33.69 22.06 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.252 2.221 . . . . 0.0 113.832 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.96 -22.85 64.84 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.429 -1.419 . . . . 0.0 114.379 170.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.7 137.84 7.06 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 127.014 2.245 . . . . 0.0 110.785 -172.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.09 140.21 54.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.801 0.81 . . . . 0.0 111.525 -173.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -160.73 103.16 1.34 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.988 1.715 . . . . 0.0 107.424 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.19 -16.2 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -171.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -68.21 -23.56 64.83 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.52 149.45 48.22 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.094 0.958 . . . . 0.0 112.17 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -59.08 -30.07 67.81 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -127.66 144.67 51.06 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.139 0.975 . . . . 0.0 110.94 169.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -96.29 65.58 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 167.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.91 33.48 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.631 2.373 . . . . 0.0 111.563 171.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -141.19 174.87 10.12 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 -167.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.74 -8.99 12.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.961 2.505 . . . . 0.0 116.582 -169.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -120.09 4.57 10.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.581 1.552 . . . . 0.0 113.258 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 p -58.58 -36.95 74.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -169.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.7 t -64.75 -39.66 93.99 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.867 0.867 . . . . 0.0 111.813 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.76 -13.4 23.1 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.868 1.667 . . . . 0.0 114.175 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.82 -0.35 13.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.463 1.505 . . . . 0.0 113.959 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 46.29 35.07 2.48 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.565 1.546 . . . . 0.0 113.227 -172.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 m -124.55 18.65 8.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.394 1.478 . . . . 0.0 114.035 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -58.44 160.21 5.56 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.757 1.223 . . . . 0.0 113.918 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -57.96 161.14 4.17 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.404 1.082 . . . . 0.0 111.507 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.8 p -55.61 -25.11 36.88 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -172.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.13 40.77 1.37 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.684 1.194 . . . . 0.0 112.213 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.442 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 65.3 t80 -39.83 -54.1 2.17 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.095 1.758 . . . . 0.0 114.81 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -13.84 61.05 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.37 -21.68 6.79 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -120.1 -20.27 7.48 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 1.9 m -120.94 -13.92 8.54 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -42.58 110.61 0.87 Allowed Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 127.254 2.222 . . . . 0.0 113.958 -169.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.14 -176.62 0.07 OUTLIER 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 125.042 3.828 . . . . 0.0 115.426 170.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -41.52 130.65 3.07 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.3 1.84 . . . . 0.0 114.824 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.27 151.8 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.694 1.598 . . . . 0.0 110.324 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 m -48.01 136.26 11.67 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.717 2.007 . . . . 0.0 113.512 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -149.57 171.29 16.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.262 1.425 . . . . 0.0 111.739 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.96 14.08 21.99 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.388 1.47 . . . . 0.0 114.955 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -144.58 154.41 42.82 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.792 2.037 . . . . 0.0 109.896 178.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.14 161.74 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.298 1.039 . . . . 0.0 112.245 -169.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.09 -171.9 1.94 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.952 1.701 . . . . 0.0 111.865 -177.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 p -67.82 -13.79 62.42 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.284 1.434 . . . . 0.0 114.845 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.529 1.932 . . . . 0.0 113.262 176.675 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -150.13 148.91 29.54 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.344 1.457 . . . . 0.0 110.449 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.58 133.18 47.31 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.571 -0.705 . . . . 0.0 111.925 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.7 t -147.95 152.73 38.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.854 1.662 . . . . 0.0 109.324 169.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 4.2 t -86.9 18.38 3.55 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -169.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -69.69 97.33 1.05 Allowed 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.358 -1.464 . . . . 0.0 111.201 -169.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.99 48.11 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.544 1.545 . . . . 0.0 114.666 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -129.37 -20.04 3.38 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -53.91 15.48 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.929 3.677 . . . . 0.0 120.929 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.6 p -142.28 15.6 2.04 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.763 2.825 . . . . 0.0 111.681 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.07 -15.56 45.9 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.22 143.34 13.62 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.449 1.5 . . . . 0.0 113.925 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -72.79 134.62 45.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.473 1.509 . . . . 0.0 114.221 -172.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -158.48 99.17 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.791 2.036 . . . . 0.0 106.723 169.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.56 -12.88 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -169.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.08 -18.07 60.87 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.22 152.6 44.87 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 121.032 -1.043 . . . . 0.0 112.39 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -63.95 -23.71 67.45 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.764 1.625 . . . . 0.0 113.993 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 p -137.81 158.45 44.32 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.27 1.828 . . . . 0.0 108.307 168.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -111.36 65.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m -72.95 50.06 0.25 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.185 2.194 . . . . 0.0 110.388 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -149.27 166.64 28.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.309 1.444 . . . . 0.0 112.633 -169.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.91 -23.36 53.04 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.4 mt -99.08 0.42 43.6 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.554 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 5.1 p -58.72 -21.26 54.58 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -168.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -76.28 -26.2 55.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -69.56 -28.79 66.3 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.865 -1.147 . . . . 0.0 113.372 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 5.9 p90 -120.8 14.07 11.61 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.653 1.581 . . . . 0.0 114.015 175.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 45.96 45.0 11.9 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.521 2.328 . . . . 0.0 116.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.9 m -131.76 25.47 4.69 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -173.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -54.52 164.13 0.78 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.513 1.525 . . . . 0.0 115.02 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.06 151.14 7.22 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.606 0.762 . . . . 0.0 111.392 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 p -59.16 -15.07 12.56 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -131.2 20.09 4.87 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.448 1.499 . . . . 0.0 113.021 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 45.3 t80 -38.48 -52.42 1.58 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -175.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -68.42 -6.51 25.05 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -32.06 4.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.773 1.629 . . . . 0.0 113.731 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -120.69 -18.63 7.66 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 2.8 m -120.49 -10.54 9.25 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.131 1.332 . . . . 0.0 114.25 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -47.9 111.16 1.61 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.254 1.821 . . . . 0.0 112.603 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.24 -178.94 4.57 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 124.184 3.256 . . . . 0.0 111.995 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -71.41 68.22 0.53 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.629 1.572 . . . . 0.0 112.713 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.14 39.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 127.423 2.289 . . . . 0.0 114.268 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -71.8 -170.5 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.129 1.772 . . . . 0.0 112.487 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -47.7 -32.46 5.79 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.46 1.904 . . . . 0.0 114.67 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.33 13.12 77.35 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.24 0.924 . . . . 0.0 114.755 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -77.98 4.16 12.87 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.882 1.273 . . . . 0.0 113.905 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.6 m -142.88 164.97 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 128.546 2.738 . . . . 0.0 110.366 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -130.16 -21.8 2.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -175.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 p -70.16 150.35 46.59 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.203 1.001 . . . . 0.0 112.271 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.5 ttp . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.214 1.805 . . . . 0.0 111.362 -178.1 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 pt20 -69.79 166.52 19.15 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.583 0.753 . . . . 0.0 112.524 169.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -144.23 154.99 43.68 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.703 1.201 . . . . 0.0 112.113 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.2 m -122.98 152.28 41.03 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.517 1.927 . . . . 0.0 110.102 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.38 -5.38 58.89 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 -169.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.86 89.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.198 0.999 . . . . 0.0 112.015 -170.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.91 4.95 12.29 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.998 2.237 . . . . 0.0 115.372 -172.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -133.21 -24.95 1.81 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.25 126.41 18.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.087 1.312 . . . . 0.0 113.556 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 62.99 30.3 16.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.472 1.909 . . . . 0.0 113.424 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -60.29 -20.82 60.67 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.55 152.32 14.29 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.506 1.527 . . . . 0.0 113.006 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -75.72 142.2 42.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.609 1.195 . . . . 0.0 113.988 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -155.95 119.35 4.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 128.093 2.557 . . . . 0.0 104.4 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.23 -10.34 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.8 -32.25 21.88 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -73.82 147.0 43.77 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.987 0.812 . . . . 0.0 113.176 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -69.57 -31.87 70.31 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.383 1.473 . . . . 0.0 114.715 -170.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 t -107.1 110.73 22.91 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.933 0.893 . . . . 0.0 109.62 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -87.31 70.49 10.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.396 1.569 . . . . 0.0 107.325 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 36.66 0.07 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.809 2.044 . . . . 0.0 111.146 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.0 178.16 8.41 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.529 1.931 . . . . 0.0 114.4 -167.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -63.02 -20.84 65.7 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.72 1.69 23.21 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.615 1.098 . . . . 0.0 113.509 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 -33.27 74.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -64.39 -35.08 79.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.075 0.95 . . . . 0.0 112.531 -176.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -63.52 -15.74 58.78 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.361 1.865 . . . . 0.0 113.653 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.63 -9.59 10.21 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.36 1.464 . . . . 0.0 114.344 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 54.59 33.99 20.35 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.158 1.783 . . . . 0.0 113.504 -172.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.1 m -116.8 19.6 14.37 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.605 1.562 . . . . 0.0 113.231 -173.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 m -60.66 162.67 6.29 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.444 1.498 . . . . 0.0 113.516 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 147.26 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.463 1.105 . . . . 0.0 113.033 168.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -61.61 -11.34 11.0 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -136.99 27.54 2.93 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.19 1.396 . . . . 0.0 112.487 171.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -38.54 -49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.679 1.992 . . . . 0.0 114.943 -174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -10.88 41.06 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -173.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.72 -34.61 3.54 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 113.45 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -88.35 -36.42 16.62 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.1 -12.76 9.05 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -169.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -40.93 106.87 0.44 Allowed Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 127.641 2.376 . . . . 0.0 113.488 -173.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -52.26 148.86 23.94 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 124.44 3.427 . . . . 0.0 113.438 174.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -66.53 142.73 57.41 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.912 -0.492 . . . . 0.0 111.455 171.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.59 29.79 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 125.387 1.475 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.0 t -148.42 31.6 0.82 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.004 1.321 . . . . 0.0 113.292 -172.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -121.82 158.62 28.5 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.533 1.533 . . . . 0.0 112.097 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.5 -21.8 42.8 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.151 0.881 . . . . 0.0 114.394 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -155.39 161.79 40.94 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.88 1.272 . . . . 0.0 111.844 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.07 32.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.968 1.707 . . . . 0.0 113.519 174.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -150.03 -28.8 0.24 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.01 1.724 . . . . 0.0 113.232 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -79.73 27.28 0.29 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.353 1.461 . . . . 0.0 113.482 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.8 ttp . . . . . 0 C--O 1.252 1.236 0 C-N-CA 129.087 2.955 . . . . 0.0 115.349 -177.403 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 111.338 0.125 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -140.41 157.97 44.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.22 1.408 . . . . 0.0 111.738 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -151.08 82.96 1.32 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.457 1.503 . . . . 0.0 109.726 -173.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.6 p -139.43 172.93 12.1 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.386 1.074 . . . . 0.0 113.028 -174.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.4 t -73.16 -8.34 55.34 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 -169.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -69.44 95.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.869 -1.144 . . . . 0.0 112.305 -169.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.29 0.18 14.3 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 127.084 2.278 . . . . 0.0 115.249 -173.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -133.52 -22.31 1.94 Allowed 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.96 129.09 19.96 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 57.66 23.83 9.86 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.435 2.294 . . . . 0.0 114.213 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.22 -24.36 67.84 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 119.849 -1.782 . . . . 0.0 114.863 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 161.15 12.49 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.79 1.662 . . . . 0.0 111.926 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.0 125.12 25.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.454 -1.027 . . . . 0.0 113.113 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -148.3 79.93 1.45 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.192 1.797 . . . . 0.0 110.338 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.56 -15.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.12 -6.43 51.17 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.97 2.108 . . . . 0.0 114.941 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -110.84 171.07 7.68 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.66 1.184 . . . . 0.0 113.199 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.94 -10.58 59.54 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.1 1.36 . . . . 0.0 114.491 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 p -139.92 149.64 43.58 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.221 1.408 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -106.53 63.53 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 169.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.7 m -68.56 43.87 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.234 2.214 . . . . 0.0 111.529 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -145.12 177.89 8.46 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -168.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.31 -18.23 57.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.599 2.36 . . . . 0.0 116.155 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -113.94 -4.5 13.25 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.693 1.197 . . . . 0.0 113.875 -169.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 p -60.11 -29.67 68.76 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -66.88 -8.52 29.7 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.53 1.532 . . . . 0.0 114.306 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -96.64 -41.66 8.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.505 1.522 . . . . 0.0 111.42 170.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -74.27 -23.59 59.14 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 65.68 1.34 1.73 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.463 2.305 . . . . 0.0 115.173 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -79.35 -0.6 33.31 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.97 1.708 . . . . 0.0 114.816 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -51.18 162.75 0.28 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 118.275 2.695 . . . . 0.0 118.275 -169.294 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.5 140.1 23.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.884 0.874 . . . . 0.0 111.256 169.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.7 p -63.21 -12.56 29.35 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -136.87 28.29 2.92 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 111.726 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 38.0 t80 -37.44 -50.04 1.06 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.95 2.1 . . . . 0.0 115.228 -173.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.53 -10.63 46.97 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.79 -39.2 2.75 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.405 1.082 . . . . 0.0 113.473 170.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.94 -34.92 32.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -118.87 -21.39 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -168.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -22.05 89.49 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.152 0 C-N-CA 128.767 2.827 . . . . 0.0 116.217 -169.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -84.28 -163.84 0.22 Allowed 'Trans proline' 0 CA--C 1.542 0.875 1 C-N-CA 125.383 4.055 . . . . 0.0 109.541 169.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -55.39 127.11 27.97 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.359 -0.838 . . . . 0.0 108.862 168.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.6 p -140.48 172.53 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.943 1.297 . . . . 0.0 111.791 -169.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 p -54.9 137.98 44.21 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.277 1.431 . . . . 0.0 114.434 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -91.67 -30.18 16.46 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.941 1.696 . . . . 0.0 112.685 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.11 -39.37 0.31 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.07 1.319 . . . . 0.0 113.579 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -140.42 4.73 2.0 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.079 1.352 . . . . 0.0 113.687 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -150.12 167.57 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 128.802 2.841 . . . . 0.0 109.552 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -136.58 -12.82 1.77 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.0 p -70.29 157.36 37.85 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.536 1.135 . . . . 0.0 112.793 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.899 1.679 . . . . 0.0 111.353 179.07 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -155.67 -179.72 8.39 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.034 1.733 . . . . 0.0 111.005 173.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -136.89 130.59 31.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.062 1.345 . . . . 0.0 110.182 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m -151.25 153.73 35.45 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.634 1.574 . . . . 0.0 111.696 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.5 t -78.0 -11.31 59.89 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -69.16 98.04 0.97 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.686 1.13 . . . . 0.0 111.815 -168.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.91 -8.27 6.08 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.788 2.137 . . . . 0.0 115.031 -170.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -134.4 -26.04 1.47 Allowed 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -44.49 147.26 0.6 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.6 24.44 8.54 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.235 1.814 . . . . 0.0 113.072 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.76 -12.33 61.49 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.16 131.57 7.06 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.385 1.469 . . . . 0.0 111.617 -169.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 57.3 t80 -70.24 142.77 52.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.086 1.354 . . . . 0.0 113.642 -171.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.08 113.16 3.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.918 1.687 . . . . 0.0 108.502 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 p -73.96 -8.51 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -171.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.35 -21.01 46.39 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -73.38 167.53 21.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.002 1.321 . . . . 0.0 113.43 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.02 -18.25 60.38 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.861 1.264 . . . . 0.0 113.482 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.6 p -141.47 150.13 41.83 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.239 1.816 . . . . 0.0 107.525 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -105.31 58.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 171.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -67.03 41.23 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 127.756 2.423 . . . . 0.0 114.239 -173.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -147.42 164.81 32.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.978 2.111 . . . . 0.0 112.768 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.54 -35.0 27.6 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.298 2.239 . . . . 0.0 116.961 -169.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -76.48 -13.94 60.07 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 p -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -172.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.2 p -68.32 -13.03 61.97 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 114.032 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -93.51 -44.2 8.35 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.447 1.499 . . . . 0.0 111.33 169.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 63.8 m-85 -75.17 -15.91 60.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 61.41 18.68 9.55 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.557 1.943 . . . . 0.0 114.844 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 p -100.31 -4.96 28.15 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.689 1.995 . . . . 0.0 114.85 -170.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.64 166.58 0.9 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 117.967 2.58 . . . . 0.0 117.967 -169.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 p -52.96 148.24 8.06 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.139 0.976 . . . . 0.0 110.672 168.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -54.04 -25.71 22.81 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.991 1.717 . . . . 0.0 115.02 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.28 29.43 3.66 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.236 1.414 . . . . 0.0 112.754 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.4 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 86.4 t80 -32.49 -58.14 0.33 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -7.46 28.69 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -31.56 4.27 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.294 1.438 . . . . 0.0 113.965 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -120.44 -16.62 8.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -169.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 1.8 m -120.77 1.03 10.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.6 123.49 81.41 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 125.533 1.533 . . . . 0.0 111.368 -171.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -45.13 121.24 3.51 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.579 3.519 . . . . 0.0 112.142 169.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -65.65 132.86 49.86 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -169.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.72 97.24 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.36 1.064 . . . . 0.0 108.719 170.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -63.21 162.0 12.71 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -137.5 -12.57 1.57 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.447 1.899 . . . . 0.0 113.664 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.36 13.59 60.65 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 124.57 1.081 . . . . 0.0 115.777 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -143.99 22.61 1.74 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.135 1.374 . . . . 0.0 112.677 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.2 m -138.52 150.67 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.769 1.627 . . . . 0.0 111.778 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -72.76 -24.52 60.96 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.09 0.956 . . . . 0.0 113.496 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.0 p -73.1 -15.79 61.48 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -172.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.335 1.454 . . . . 0.0 111.933 -175.92 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.504 0.192 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -149.81 174.73 12.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.939 1.695 . . . . 0.0 111.833 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -137.87 158.62 43.97 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.258 1.423 . . . . 0.0 111.503 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.5 p -151.78 169.89 21.11 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.287 1.435 . . . . 0.0 111.473 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.1 t -66.96 -9.87 43.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -66.71 101.31 0.79 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.359 0.981 . . . . 0.0 112.723 -168.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.83 28.56 73.46 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.038 1.78 . . . . 0.0 114.921 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -134.97 -36.16 0.83 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.2 m -46.87 138.86 5.94 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m 73.53 20.75 3.04 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.721 2.408 . . . . 0.0 112.738 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -62.55 -26.69 68.7 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.88 155.85 9.33 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.43 1.491 . . . . 0.0 112.94 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.03 132.96 35.4 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -158.68 102.52 1.7 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.535 1.934 . . . . 0.0 108.344 169.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.96 -10.15 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -76.98 -21.47 54.66 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -72.1 173.71 8.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.368 1.067 . . . . 0.0 113.536 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -80.23 -26.73 38.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.847 1.259 . . . . 0.0 112.778 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.58 145.82 51.44 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.432 1.11 . . . . 0.0 109.148 168.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -106.71 64.96 0.66 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -71.21 49.49 0.14 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.299 2.239 . . . . 0.0 110.74 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.36 178.41 7.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.858 1.663 . . . . 0.0 114.928 -168.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.61 -8.42 56.29 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -172.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.1 mt -120.04 -5.54 10.02 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.831 1.252 . . . . 0.0 113.516 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -59.33 -31.55 69.28 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -70.91 -31.27 67.85 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.176 -0.953 . . . . 0.0 112.618 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.6 -20.44 66.32 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.992 1.717 . . . . 0.0 112.966 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -106.57 -2.57 21.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.76 1.624 . . . . 0.0 113.78 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 48.06 36.32 6.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.479 1.912 . . . . 0.0 113.269 -171.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 p -110.31 -1.42 17.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.732 1.613 . . . . 0.0 114.977 -169.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.03 158.37 1.48 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 115.781 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.6 148.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.91 1.284 . . . . 0.0 112.952 169.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -57.03 -23.9 49.82 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.687 1.595 . . . . 0.0 114.61 -173.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -127.2 28.17 5.78 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.201 1.8 . . . . 0.0 111.501 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -44.48 -51.31 8.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.622 1.569 . . . . 0.0 114.17 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 p -67.07 -15.27 63.61 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.59 -23.36 11.86 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.995 1.318 . . . . 0.0 113.458 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.53 -51.41 2.17 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -89.22 -23.3 22.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -169.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -35.64 98.91 0.16 Allowed Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 128.802 2.841 . . . . 0.0 115.629 -169.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -79.29 -168.62 0.65 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 124.629 3.553 . . . . 0.0 109.805 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.96 136.24 58.03 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.883 -1.135 . . . . 0.0 110.291 169.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.5 m -131.39 39.19 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 125.713 1.605 . . . . 0.0 111.768 -173.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 p -132.4 159.11 40.23 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.162 1.785 . . . . 0.0 111.376 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.19 177.27 11.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.63 1.572 . . . . 0.0 112.443 -175.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.44 -81.53 0.03 OUTLIER Glycine 0 N--CA 1.469 0.853 0 C-N-CA 124.85 1.214 . . . . 0.0 110.789 171.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -137.99 16.4 2.84 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.068 1.347 . . . . 0.0 112.56 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.7 p -154.45 151.74 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 126.786 2.034 . . . . 0.0 110.16 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -133.16 -6.51 3.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.7 p -70.45 -24.85 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.284 1.034 . . . . 0.0 113.492 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 C--O 1.253 1.258 0 C-N-CA 128.698 2.799 . . . . 0.0 114.623 175.116 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -137.49 171.26 14.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.532 1.533 . . . . 0.0 110.926 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -147.61 158.91 44.21 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.435 1.094 . . . . 0.0 111.449 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.1 t -72.79 169.07 17.51 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.559 1.144 . . . . 0.0 113.302 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.6 t -120.79 16.6 11.86 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -169.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -69.08 93.98 0.63 Allowed 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.79 -1.194 . . . . 0.0 111.558 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.08 16.66 34.67 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.93 1.729 . . . . 0.0 115.365 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -127.66 -23.78 3.38 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.88 1.84 . . . . 0.0 115.844 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 m -52.14 142.65 15.9 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 66.69 25.43 9.81 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.904 2.081 . . . . 0.0 113.385 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.06 -15.97 63.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.32 170.48 19.03 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.609 1.576 . . . . 0.0 112.176 -169.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -100.39 134.3 43.54 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.461 -1.023 . . . . 0.0 112.181 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -157.31 92.26 1.23 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.875 1.67 . . . . 0.0 108.493 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -56.29 -14.87 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.68 -25.45 63.89 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -69.86 153.63 43.04 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.66 -19.08 63.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.561 1.944 . . . . 0.0 114.104 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.8 p -140.59 148.03 40.33 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.211 1.404 . . . . 0.0 109.232 168.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.84 69.5 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 167.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.5 m -70.31 42.07 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.121 1.769 . . . . 0.0 111.821 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -152.01 172.99 15.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.239 1.816 . . . . 0.0 113.607 -169.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.05 -33.48 67.27 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.941 2.096 . . . . 0.0 115.908 -169.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.27 -4.96 59.27 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 p -60.98 -30.16 70.11 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -173.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -68.94 -5.2 19.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.813 1.245 . . . . 0.0 113.785 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -100.56 -9.31 22.13 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.6 1.96 . . . . 0.0 112.446 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -120.08 -11.2 9.29 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.835 1.654 . . . . 0.0 114.675 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 57.43 31.52 20.35 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.288 1.835 . . . . 0.0 113.926 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 p -120.69 20.94 11.65 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.881 2.072 . . . . 0.0 112.976 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.8 m -57.24 175.3 0.15 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.362 2.265 . . . . 0.0 114.548 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 m -50.47 162.26 0.25 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.086 0.954 . . . . 0.0 113.172 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -56.46 -27.74 57.74 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -143.47 41.12 1.46 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.166 1.386 . . . . 0.0 112.349 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -43.55 -48.92 7.56 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.303 1.841 . . . . 0.0 115.184 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 p -66.21 -14.13 61.42 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -10.24 9.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -120.1 -31.22 4.48 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.79 -21.91 6.46 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -169.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -37.47 99.45 0.18 Allowed Pre-proline 0 N--CA 1.478 0.925 0 C-N-CA 127.696 2.399 . . . . 0.0 113.074 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.77 150.03 38.74 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.414 2.743 . . . . 0.0 112.737 -169.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 23.43 49.25 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 128.767 2.827 . . . . 0.0 116.539 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -56.69 132.16 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.334 1.054 . . . . 0.0 111.859 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.1 t -159.11 175.33 13.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.834 1.254 . . . . 0.0 111.868 -171.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 -63.41 157.18 23.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.478 1.511 . . . . 0.0 113.769 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.83 37.58 1.69 Allowed Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.743 1.64 . . . . 0.0 115.008 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -142.62 9.08 1.77 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.421 1.889 . . . . 0.0 112.639 -171.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.8 m -142.81 -179.04 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 127.549 2.34 . . . . 0.0 110.376 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -137.38 164.08 29.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.678 1.191 . . . . 0.0 112.224 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.8 p -74.49 -4.6 37.76 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.292 1.837 . . . . 0.0 115.509 -172.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 ptm . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.283 1.833 . . . . 0.0 114.647 175.435 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.477 0.18 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -150.93 157.51 42.99 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.42 1.488 . . . . 0.0 110.976 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -125.56 147.18 49.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.313 1.445 . . . . 0.0 110.293 170.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.4 p -158.47 -179.58 8.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.421 1.488 . . . . 0.0 111.601 -171.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 7.7 t -66.66 -1.09 3.36 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 176.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.24 98.46 1.04 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.225 -1.547 . . . . 0.0 111.633 -169.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.85 11.82 31.57 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 126.084 1.802 . . . . 0.0 114.93 -171.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -131.47 -26.59 2.04 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 m -49.66 4.77 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 121.469 3.877 . . . . 0.0 121.469 -169.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.3 p -142.38 20.61 2.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.426 1.89 . . . . 0.0 112.112 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.91 -15.95 57.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.5 166.2 26.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.507 1.527 . . . . 0.0 113.302 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -107.4 136.12 47.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.401 1.081 . . . . 0.0 111.456 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -162.5 100.13 1.04 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.714 2.006 . . . . 0.0 105.87 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -11.85 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -169.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -74.82 -17.83 60.55 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.47 156.34 39.02 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.574 1.079 . . . . 0.0 112.716 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.97 -25.21 68.26 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.797 1.639 . . . . 0.0 113.603 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -141.6 158.42 43.86 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.837 1.255 . . . . 0.0 109.553 168.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -111.3 55.33 0.66 Allowed 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.769 1.227 . . . . 0.0 107.935 169.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.3 m -69.09 53.07 0.09 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.505 1.922 . . . . 0.0 111.552 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -154.63 169.14 24.57 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.426 2.291 . . . . 0.0 112.015 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.46 -10.61 0.26 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -117.46 -2.93 11.43 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.228 1.376 . . . . 0.0 114.597 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.4 p -69.19 -27.1 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -170.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -62.1 -29.11 70.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.379 0.991 . . . . 0.0 112.767 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -71.49 -16.7 62.36 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.05 2.14 . . . . 0.0 113.967 172.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -116.09 -15.11 11.15 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 54.29 29.66 11.14 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.136 1.774 . . . . 0.0 114.371 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 p -110.24 18.52 19.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.27 2.228 . . . . 0.0 113.057 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 179.61 7.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.693 1.597 . . . . 0.0 114.858 -170.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.97 162.06 4.5 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.932 0.893 . . . . 0.0 110.277 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.7 m -57.13 -28.43 62.71 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -172.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -139.61 33.16 2.03 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.38 1.072 . . . . 0.0 113.595 -170.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -36.05 -55.31 0.77 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -175.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.8 p -65.4 -9.04 21.76 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.25 -32.19 4.2 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.373 1.469 . . . . 0.0 113.708 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.56 -20.34 7.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.434 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 2.0 m -122.44 -0.13 9.33 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -65.65 126.32 91.4 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.121 0.968 . . . . 0.0 112.731 -170.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -54.22 160.32 6.65 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 124.065 3.177 . . . . 0.0 111.468 168.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -77.85 49.83 0.81 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.77 12.89 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.532 1.933 . . . . 0.0 112.972 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -150.43 41.19 0.79 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.511 2.725 . . . . 0.0 108.882 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.37 148.55 51.85 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.49 1.916 . . . . 0.0 111.05 -169.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.14 -24.72 0.05 OUTLIER Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.766 1.174 . . . . 0.0 114.345 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -138.98 52.76 1.77 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.631 1.573 . . . . 0.0 110.901 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.8 t -135.08 148.29 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.545 1.938 . . . . 0.0 109.147 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -73.45 -8.86 57.65 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -174.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -63.37 165.06 8.13 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.897 1.279 . . . . 0.0 113.525 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 C--O 1.253 1.28 0 C-N-CA 126.014 1.725 . . . . 0.0 111.229 178.666 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 110.756 -0.09 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -146.94 142.7 27.84 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.292 1.437 . . . . 0.0 110.202 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -149.93 126.43 10.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.877 0.846 . . . . 0.0 111.8 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.5 p -138.45 -178.54 5.34 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.736 2.014 . . . . 0.0 111.901 -169.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t -53.01 -16.94 1.21 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.333 2.653 . . . . 0.0 116.676 -169.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -69.03 97.93 0.92 Allowed 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.081 -1.012 . . . . 0.0 111.731 -168.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 32.7 76.94 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.986 1.279 . . . . 0.0 113.682 -169.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -34.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.37 153.34 43.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.18 29.15 3.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 128.456 2.702 . . . . 0.0 113.808 -175.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -20.89 60.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -173.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.41 144.93 15.07 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.592 1.568 . . . . 0.0 113.106 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -69.64 139.71 53.6 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 125.009 1.323 . . . . 0.0 114.045 -168.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -166.65 101.6 0.58 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.336 2.254 . . . . 0.0 107.009 168.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.73 -10.64 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.27 -20.66 60.78 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.54 1.136 . . . . 0.0 113.785 169.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -69.57 149.0 48.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.437 1.095 . . . . 0.0 111.635 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.13 -13.49 62.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.081 1.352 . . . . 0.0 113.516 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 p -142.23 144.05 33.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.9 1.68 . . . . 0.0 109.235 168.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -94.06 68.2 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.54 47.91 0.18 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.131 1.773 . . . . 0.0 110.45 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -154.31 179.87 8.58 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.874 1.67 . . . . 0.0 114.389 -169.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.53 -15.4 60.85 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -172.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.0 mt -111.53 1.82 17.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.993 1.269 . . . . 0.0 113.954 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 p -57.66 -36.76 72.32 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -68.57 -6.92 28.25 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.22 -13.91 27.74 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.455 1.902 . . . . 0.0 112.454 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.39 -15.98 8.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 65.62 3.66 2.52 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.572 2.349 . . . . 0.0 115.271 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 p -83.21 21.54 1.1 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.068 2.547 . . . . 0.0 113.958 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -58.52 160.34 5.52 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.901 1.68 . . . . 0.0 115.012 -176.25 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.05 155.13 8.7 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 122.976 0.51 . . . . 0.0 111.683 170.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 p -68.16 -14.05 62.68 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -170.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -137.27 15.73 3.0 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 -170.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 54.7 t80 -36.59 -62.8 0.44 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.726 2.41 . . . . 0.0 116.051 -169.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -2.73 16.12 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -172.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.65 -22.59 6.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.568 1.547 . . . . 0.0 113.32 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -120.62 -62.96 1.4 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.98 1.312 . . . . 0.0 114.052 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.53 -6.01 59.08 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -39.17 108.95 0.5 Allowed Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 127.979 2.511 . . . . 0.0 112.676 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -45.66 149.1 2.05 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.64 3.56 . . . . 0.0 114.731 171.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.05 142.6 56.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.63 1.172 . . . . 0.0 111.757 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.27 47.93 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.406 1.483 . . . . 0.0 112.378 -172.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 m -57.14 157.61 5.93 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.092 1.357 . . . . 0.0 112.077 169.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 -50.78 -24.8 3.73 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.277 2.231 . . . . 0.0 116.568 -174.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.95 21.73 22.44 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.266 0.939 . . . . 0.0 114.645 175.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -112.32 10.96 20.01 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.047 1.739 . . . . 0.0 113.135 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -153.69 142.98 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 127.301 2.241 . . . . 0.0 109.828 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -138.04 7.91 2.71 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.485 1.114 . . . . 0.0 113.79 -171.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 p -77.2 -0.64 25.89 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.643 1.577 . . . . 0.0 114.118 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.5 ttt . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.982 2.113 . . . . 0.0 111.224 -177.627 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.67 0.272 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -141.88 159.88 41.32 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.775 1.63 . . . . 0.0 110.664 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.96 162.54 27.87 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 122.294 1.045 . . . . 0.0 113.43 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.8 p -148.23 177.68 9.21 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.774 2.03 . . . . 0.0 109.126 169.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 9.9 t -70.2 -9.57 56.2 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -69.68 101.06 1.58 Allowed 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.039 -1.038 . . . . 0.0 110.697 -175.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.32 8.1 36.29 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.851 1.691 . . . . 0.0 114.988 -170.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -133.06 -38.18 0.97 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.633 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.9 m -38.7 142.96 0.17 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.325 42.3 p 70.94 38.2 1.18 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.854 2.462 . . . . 0.0 112.2 -169.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.86 -25.27 60.5 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.282 1.433 . . . . 0.0 114.429 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.7 155.44 10.16 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.407 1.003 . . . . 0.0 111.006 -168.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CE1' ' HB ' ' A' ' 15' ' ' VAL . 17.1 t80 -69.94 125.65 27.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.659 -0.907 . . . . 0.0 112.626 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -154.34 81.06 1.12 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.221 1.409 . . . . 0.0 109.23 172.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.419 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 2.3 p -56.65 -13.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -169.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.82 -22.67 65.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.919 1.288 . . . . 0.0 114.392 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -95.48 157.91 15.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -169.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.26 -26.07 68.61 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 t -136.0 135.52 39.56 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.569 0.747 . . . . 0.0 111.532 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -95.08 66.83 3.01 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 123.034 1.397 . . . . 0.0 107.256 168.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -81.22 52.3 1.78 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.198 1.799 . . . . 0.0 109.187 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -149.18 175.14 11.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.694 1.598 . . . . 0.0 114.215 -169.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.54 -23.11 65.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.945 2.098 . . . . 0.0 116.636 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -101.05 -1.64 33.68 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 120.275 1.398 . . . . 0.0 113.682 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.554 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 4.3 p -58.53 -22.03 54.12 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -73.6 -27.03 61.08 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.57 -29.04 65.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.487 1.115 . . . . 0.0 113.344 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 6.6 p90 -120.8 13.78 11.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.8 1.64 . . . . 0.0 114.126 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 45.74 48.77 11.62 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.678 2.391 . . . . 0.0 116.098 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -130.52 22.57 5.11 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -175.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.7 m -61.46 165.16 5.01 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.899 1.279 . . . . 0.0 114.42 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.68 154.54 0.67 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.761 1.225 . . . . 0.0 112.906 168.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -55.99 -20.44 16.48 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -141.71 36.33 1.62 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.97 1.308 . . . . 0.0 112.013 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.465 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 48.8 t80 -33.77 -54.84 0.46 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.086 2.155 . . . . 0.0 115.492 -177.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -11.05 58.61 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -172.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.41 -30.78 4.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.768 1.227 . . . . 0.0 114.117 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -103.72 -21.77 13.65 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 3.3 m -120.87 -28.66 4.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -21.43 91.72 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 129.525 3.13 . . . . 0.0 116.317 -169.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.87 -167.07 0.46 Allowed 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 124.541 3.494 . . . . 0.0 110.312 169.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -52.47 135.02 34.47 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.35 -0.844 . . . . 0.0 110.975 169.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -135.66 36.0 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-O 123.054 1.407 . . . . 0.0 111.547 -170.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.1 p -61.75 163.68 7.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.075 1.75 . . . . 0.0 113.198 173.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -54.27 156.04 3.42 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.621 1.568 . . . . 0.0 114.477 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.1 -2.61 89.06 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.757 1.17 . . . . 0.0 115.189 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.1 3.06 7.58 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 m -141.09 159.42 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 127.469 2.308 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -141.22 19.16 2.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.526 1.13 . . . . 0.0 112.986 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.9 m -62.03 118.09 6.84 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.8 1.24 . . . . 0.0 111.143 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.1 mtp . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.237 1.815 . . . . 0.0 111.374 -177.823 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 t0 . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -138.07 132.17 31.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.282 1.433 . . . . 0.0 110.356 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -158.61 145.39 17.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.125 0.97 . . . . 0.0 111.563 -174.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 t -156.79 -178.67 7.53 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -171.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.8 t -45.49 -27.24 0.69 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 130.107 3.363 . . . . 0.0 118.314 -169.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -68.49 100.0 1.04 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.807 1.64 . . . . 0.0 111.977 -168.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.43 15.7 75.63 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 126.368 1.937 . . . . 0.0 115.212 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -141.4 -28.68 0.65 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -169.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -58.78 141.54 52.71 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 120.826 1.648 . . . . 0.0 115.245 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 59.35 29.89 19.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.467 2.707 . . . . 0.0 113.815 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.73 -14.34 60.33 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.94 129.97 5.89 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.151 1.357 . . . . 0.0 110.141 -168.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 77.0 t80 -69.14 139.74 54.69 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -150.9 112.85 4.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.39 1.876 . . . . 0.0 108.313 169.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -73.46 -6.4 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.44 -17.62 48.15 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.544 1.138 . . . . 0.0 113.999 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.68 169.23 13.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.971 1.308 . . . . 0.0 112.104 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -75.72 -51.83 11.82 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.201 -0.937 . . . . 0.0 110.302 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 p -93.46 157.56 16.15 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 167.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -115.22 69.93 0.73 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 168.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 98.9 m -70.31 38.46 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.31 1.844 . . . . 0.0 112.655 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -149.58 165.0 33.58 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.578 -1.326 . . . . 0.0 113.241 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.55 -35.67 13.84 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.797 2.439 . . . . 0.0 116.699 -169.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -80.29 -11.82 59.68 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.9 p -60.31 -27.9 67.69 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -173.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -74.66 -11.26 60.14 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.395 1.078 . . . . 0.0 113.696 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -90.33 -42.99 10.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 110.126 169.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 49.9 m-85 -75.29 -8.85 57.76 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 177.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 56.08 39.52 30.39 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.853 1.661 . . . . 0.0 112.892 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.5 p -124.23 5.14 8.49 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -52.89 159.35 1.16 Allowed 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 11.3 m -39.9 156.28 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.346 1.859 . . . . 0.0 115.581 173.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 m -54.53 -27.09 35.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.046 1.338 . . . . 0.0 113.775 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.49 24.45 3.18 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.385 1.474 . . . . 0.0 113.387 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -36.25 -54.46 0.81 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.736 2.015 . . . . 0.0 115.825 -170.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 p -70.35 -10.38 58.86 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.21 -14.23 11.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.448 1.499 . . . . 0.0 112.985 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -120.64 -72.01 0.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.542 1.537 . . . . 0.0 112.786 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 m -74.81 -21.81 59.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -168.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -29.87 95.37 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 129.011 2.924 . . . . 0.0 114.149 -172.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.86 44.19 1.4 Allowed 'Trans proline' 0 CA--C 1.548 1.223 1 C-N-CA 125.929 4.419 . . . . 0.0 114.475 -169.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -140.84 35.26 1.77 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.641 1.976 . . . . 0.0 111.131 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.3 t -134.29 138.99 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 127.201 2.2 . . . . 0.0 108.984 -172.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -140.45 28.89 2.0 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.618 1.167 . . . . 0.0 112.877 -174.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -144.74 164.75 30.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.509 2.323 . . . . 0.0 111.082 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.63 14.3 59.17 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.306 1.431 . . . . 0.0 112.585 169.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -154.37 141.49 19.4 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.993 2.117 . . . . 0.0 110.631 -172.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.8 t -55.98 143.23 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.015 1.726 . . . . 0.0 112.842 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -144.02 178.9 7.54 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.892 1.677 . . . . 0.0 111.625 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.0 p -58.11 147.89 28.39 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.765 1.226 . . . . 0.0 113.851 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 C--O 1.251 1.151 0 C-N-CA 126.275 1.83 . . . . 0.0 112.794 -174.256 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 110.548 -0.168 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -69.85 143.39 52.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.501 0.72 . . . . 0.0 111.918 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -156.12 157.43 35.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.432 1.493 . . . . 0.0 110.831 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.6 p -152.16 -179.74 7.78 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.776 1.63 . . . . 0.0 111.729 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.44 -6.85 38.76 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 171.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 130.93 46.51 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.294 -1.504 . . . . 0.0 111.768 -168.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.54 -1.22 88.37 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 125.835 1.684 . . . . 0.0 115.681 -173.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.28 -22.37 1.76 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.2 m -45.48 143.75 1.76 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 59.51 31.05 20.74 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.32 2.248 . . . . 0.0 113.381 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.95 -20.62 65.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 161.97 22.56 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.258 1.409 . . . . 0.0 113.367 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -70.24 135.3 48.87 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.891 1.276 . . . . 0.0 113.818 -175.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -161.16 90.66 0.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.753 1.621 . . . . 0.0 109.801 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -62.82 -9.41 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.35 -26.48 64.7 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.945 -1.097 . . . . 0.0 113.158 169.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -76.0 149.18 37.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.33 1.052 . . . . 0.0 113.114 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.69 -15.84 63.18 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.981 1.713 . . . . 0.0 114.551 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 t -137.32 130.66 31.07 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.805 1.242 . . . . 0.0 111.072 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -87.5 73.74 9.44 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 m -81.1 47.04 0.97 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.07 1.348 . . . . 0.0 109.67 -174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -151.77 177.47 10.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.811 2.044 . . . . 0.0 114.303 -168.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.58 -20.75 63.66 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -171.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.1 mt -106.71 4.3 27.61 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.927 1.24 . . . . 0.0 113.485 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -61.11 -34.73 75.42 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -169.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.0 p -73.56 -28.87 62.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.727 0.811 . . . . 0.0 112.542 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -64.43 -17.31 63.68 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.022 1.729 . . . . 0.0 112.736 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -112.84 0.88 15.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.932 1.693 . . . . 0.0 113.79 172.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 47.35 35.52 4.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.0 1.72 . . . . 0.0 113.451 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -125.1 19.38 8.34 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.286 1.434 . . . . 0.0 113.741 -169.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.1 m -61.24 159.21 12.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.091 1.356 . . . . 0.0 113.82 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.61 151.26 2.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.916 0.887 . . . . 0.0 111.04 168.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.9 p -56.86 -17.44 9.41 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -135.58 28.95 3.28 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.475 1.91 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.464 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 62.3 t80 -42.49 -52.7 4.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.938 1.295 . . . . 0.0 114.207 -172.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 p -66.22 -9.7 34.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.29 -27.24 5.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.314 1.446 . . . . 0.0 113.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.21 -21.09 7.11 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -173.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 1.4 m -120.85 -15.63 8.3 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -175.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -52.6 122.01 24.45 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.642 1.977 . . . . 0.0 112.64 -171.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.81 165.67 0.17 Allowed 'Trans proline' 0 CA--C 1.542 0.906 1 C-N-CA 125.363 4.042 . . . . 0.0 114.616 169.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.06 87.45 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.212 1.405 . . . . 0.0 113.05 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -139.63 112.19 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.616 1.966 . . . . 0.0 108.555 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.5 p -144.46 161.14 39.8 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.057 1.343 . . . . 0.0 111.926 -172.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -70.99 -35.85 72.25 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.927 0.891 . . . . 0.0 113.027 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.97 -14.85 1.94 Allowed Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.166 1.365 . . . . 0.0 114.841 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.45 28.59 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 128.112 2.565 . . . . 0.0 115.788 -173.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.8 t -126.09 90.9 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.982 1.713 . . . . 0.0 109.526 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -63.04 -16.35 59.57 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -172.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.9 p -85.17 -6.41 59.29 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.54 1.536 . . . . 0.0 114.517 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.5 mtm . . . . . 0 C--O 1.252 1.207 0 C-N-CA 124.638 1.175 . . . . 0.0 113.231 174.346 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -142.6 159.81 41.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.502 1.521 . . . . 0.0 111.303 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -140.94 166.58 24.38 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.348 1.459 . . . . 0.0 112.019 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.9 p -152.48 -179.37 7.51 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.621 1.568 . . . . 0.0 112.029 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 t -49.89 -30.56 10.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.954 1.302 . . . . 0.0 114.269 169.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -69.59 117.93 11.82 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.209 -0.932 . . . . 0.0 110.812 -169.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.01 10.16 85.22 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.705 1.145 . . . . 0.0 115.027 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -134.73 -30.31 1.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.34 125.54 9.71 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.426 1.012 . . . . 0.0 113.177 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m 64.07 28.76 14.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.403 1.881 . . . . 0.0 113.282 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.03 -15.04 61.89 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.47 7.53 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.832 1.682 . . . . 0.0 112.424 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.65 135.92 50.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.277 1.031 . . . . 0.0 112.301 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -162.24 101.95 1.1 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.766 2.027 . . . . 0.0 106.444 169.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.272 6.2 p -60.99 -8.23 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.32 -23.5 61.17 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.868 1.267 . . . . 0.0 113.79 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -69.48 146.57 51.82 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.852 1.261 . . . . 0.0 112.109 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -63.04 -27.09 69.17 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.3 t -129.51 133.65 47.36 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.45 1.1 . . . . 0.0 109.964 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -91.37 65.91 5.42 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 168.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.3 m -77.68 43.47 0.41 Allowed 'General case' 0 CA--C 1.554 1.11 0 O-C-N 120.624 -1.298 . . . . 0.0 110.188 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -142.14 164.54 29.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.995 1.718 . . . . 0.0 114.004 -169.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.39 -12.56 1.72 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.534 2.733 . . . . 0.0 117.465 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.09 -2.63 16.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.519 1.528 . . . . 0.0 113.766 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.32 -30.4 70.79 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -170.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.5 p -69.43 -26.61 64.69 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.534 -0.728 . . . . 0.0 112.388 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.89 -19.33 65.0 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.226 1.811 . . . . 0.0 112.77 169.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -108.1 -6.39 16.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.028 1.731 . . . . 0.0 114.034 173.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 51.45 37.17 18.58 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.539 1.936 . . . . 0.0 114.068 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 p -127.16 17.47 7.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.514 1.526 . . . . 0.0 114.241 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 m -61.23 170.53 1.67 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.994 1.718 . . . . 0.0 114.418 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -47.11 152.3 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.004 0.922 . . . . 0.0 112.822 169.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -50.75 -27.33 6.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.099 1.76 . . . . 0.0 114.628 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.94 18.93 5.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.431 1.492 . . . . 0.0 113.18 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -31.81 -58.85 0.28 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.0 2.12 . . . . 0.0 115.172 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -9.34 32.12 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -171.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -27.71 5.17 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.104 1.361 . . . . 0.0 113.823 173.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -120.25 -18.77 7.91 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -120.35 -9.5 9.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 176.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -46.78 108.51 0.87 Allowed Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 127.689 2.395 . . . . 0.0 114.776 -169.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -81.73 -174.99 2.37 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 124.98 3.787 . . . . 0.0 110.877 169.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 26.08 66.54 0.06 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.94 2.496 . . . . 0.0 115.247 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 p -46.95 133.31 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.207 1.403 . . . . 0.0 114.085 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.0 p -76.98 64.06 2.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.675 1.99 . . . . 0.0 112.377 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -50.48 -39.03 47.11 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.5 1.92 . . . . 0.0 114.454 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 137.99 -29.79 2.61 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.711 1.624 . . . . 0.0 113.03 -176.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -131.65 13.61 4.92 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.113 1.765 . . . . 0.0 112.267 175.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.0 t -140.45 133.86 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 127.811 2.445 . . . . 0.0 107.437 173.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -157.28 -28.92 0.09 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.342 1.057 . . . . 0.0 113.811 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.4 m -142.14 132.97 25.69 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.358 1.463 . . . . 0.0 110.291 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.4 mtm . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.557 2.343 . . . . 0.0 111.186 -178.39 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 CA--C 1.545 0.768 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -69.36 104.04 2.16 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.226 -1.546 . . . . 0.0 111.013 -170.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.07 6.16 45.91 Favored Glycine 0 CA--C 1.543 1.804 0 C-N-CA 126.08 1.8 . . . . 0.0 115.093 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -132.38 -21.39 2.3 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -170.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.5 120.48 6.71 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 m 52.12 42.89 30.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.646 1.978 . . . . 0.0 113.312 -172.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -63.29 -21.49 66.28 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.29 153.15 25.95 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.559 1.552 . . . . 0.0 113.114 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -69.8 133.31 47.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.449 1.1 . . . . 0.0 113.844 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -160.53 89.41 0.82 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.125 1.77 . . . . 0.0 108.568 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 p -57.74 -13.57 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 -169.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.17 -27.44 66.42 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.064 -1.023 . . . . 0.0 113.6 170.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -72.26 148.31 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.344 1.057 . . . . 0.0 113.221 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -64.23 -23.14 67.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.412 1.485 . . . . 0.0 114.754 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -130.53 125.65 34.8 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 111.337 169.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -85.97 69.77 10.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 167.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -75.84 48.15 0.46 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.724 1.61 . . . . 0.0 109.885 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -152.45 -179.89 7.97 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.544 1.938 . . . . 0.0 115.116 -168.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -61.47 -19.75 62.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.698 2.399 . . . . 0.0 116.87 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.2 mt -109.6 1.33 19.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.913 1.233 . . . . 0.0 113.806 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.8 p -63.17 -30.62 71.73 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -172.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 p -64.05 -33.84 76.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.248 0.931 . . . . 0.0 112.828 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -67.12 -15.18 63.56 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.701 2.0 . . . . 0.0 113.535 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -120.17 -9.28 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 52.06 39.79 27.17 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.787 1.635 . . . . 0.0 113.695 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 p -129.1 21.5 5.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.755 2.022 . . . . 0.0 112.995 -171.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -76.41 166.99 22.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.15 1.78 . . . . 0.0 114.594 -175.609 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.02 148.78 7.37 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.797 0.839 . . . . 0.0 111.547 168.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 p -58.01 -19.01 27.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -143.43 38.65 1.39 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.092 1.357 . . . . 0.0 112.185 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.409 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 42.6 t80 -38.8 -52.11 1.72 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.918 1.687 . . . . 0.0 114.42 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -11.29 57.42 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.56 -12.67 8.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.061 1.345 . . . . 0.0 114.439 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -118.14 -36.53 3.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.17 -6.27 10.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.562 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 126.929 2.092 . . . . 0.0 112.009 178.729 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 117.41 10.66 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 119.799 -1.813 . . . . 0.0 109.704 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.57 79.22 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.816 1.198 . . . . 0.0 115.191 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -129.11 -21.69 3.25 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.5 m -56.94 127.54 32.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.395 0.998 . . . . 0.0 113.256 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m 53.25 38.96 28.96 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.857 2.063 . . . . 0.0 113.957 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.36 -19.24 65.4 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.89 143.48 14.97 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.144 1.354 . . . . 0.0 113.543 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.82 137.61 51.95 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.026 1.331 . . . . 0.0 114.393 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -167.87 98.17 0.46 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.401 2.28 . . . . 0.0 106.523 169.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -59.33 -11.1 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -169.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -75.36 -18.05 60.07 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.76 149.53 47.88 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.093 . . . . 0.0 112.073 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -62.91 -27.5 69.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.1 t -132.23 132.18 42.84 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.334 1.054 . . . . 0.0 110.583 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -87.52 67.98 9.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 168.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.9 m -79.29 53.05 1.42 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.279 1.432 . . . . 0.0 108.92 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -149.82 -179.5 7.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 115.498 -168.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.04 -13.71 62.19 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.299 2.24 . . . . 0.0 116.88 -174.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.45 0.51 11.63 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.114 1.325 . . . . 0.0 113.338 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -63.53 -32.42 73.88 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -71.65 -29.14 64.29 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 112.529 -174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.82 -17.8 64.56 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.391 1.877 . . . . 0.0 113.043 169.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.21 -2.37 14.93 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.933 1.693 . . . . 0.0 113.799 173.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 49.37 38.82 14.86 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.393 1.877 . . . . 0.0 113.703 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 p -127.96 17.7 6.71 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.376 1.471 . . . . 0.0 114.264 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.6 m -61.35 164.33 5.66 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.257 1.423 . . . . 0.0 114.002 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.33 155.71 0.48 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.848 1.259 . . . . 0.0 113.533 168.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 m -51.02 -28.32 9.8 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.858 2.063 . . . . 0.0 115.227 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -139.01 32.11 2.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.117 1.367 . . . . 0.0 112.252 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -34.89 -50.96 0.5 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.156 2.183 . . . . 0.0 115.931 -171.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -11.85 53.79 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.57 -31.51 4.28 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.478 1.111 . . . . 0.0 113.471 170.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.95 -37.17 17.84 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.95 -10.32 9.11 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt . . . . . 0 CA--C 1.551 0.995 0 C-N-CA 126.699 1.999 . . . . 0.0 113.675 -170.561 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -69.71 90.57 0.59 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.59 1.156 . . . . 0.0 112.14 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.05 -2.55 5.15 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 126.784 2.135 . . . . 0.0 114.902 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -134.11 -30.53 1.19 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 m -48.66 145.77 3.47 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -169.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m 67.7 24.01 8.5 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.652 1.581 . . . . 0.0 112.471 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.53 -18.64 64.04 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.617 -1.302 . . . . 0.0 114.434 171.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.69 155.93 11.25 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.554 1.55 . . . . 0.0 113.643 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -70.03 135.18 49.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.437 1.495 . . . . 0.0 113.124 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -161.01 84.65 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.52 1.528 . . . . 0.0 109.717 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -58.76 -12.15 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.81 -22.94 65.15 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.772 1.229 . . . . 0.0 114.14 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -93.56 157.27 16.28 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -169.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.34 -22.25 64.75 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.65 1.98 . . . . 0.0 115.245 -170.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 p -138.26 143.99 40.32 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.951 0.9 . . . . 0.0 110.458 169.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -97.26 70.47 2.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.0 m -74.43 46.88 0.28 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.549 1.54 . . . . 0.0 110.556 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.3 -179.63 7.52 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.696 1.999 . . . . 0.0 114.428 -168.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.48 -19.04 65.32 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.446 2.299 . . . . 0.0 116.643 -171.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -110.65 4.08 19.85 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.76 1.224 . . . . 0.0 113.265 -171.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 p -59.79 -37.29 78.7 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.4 p -75.64 -29.0 59.01 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.758 0.823 . . . . 0.0 112.851 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -63.42 -21.83 66.52 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.623 1.569 . . . . 0.0 112.914 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -107.98 1.56 22.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.537 1.535 . . . . 0.0 113.719 172.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 47.07 36.95 4.63 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.949 1.7 . . . . 0.0 113.257 -172.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -125.96 20.26 7.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.265 1.426 . . . . 0.0 113.898 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 m -53.99 165.09 0.51 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.954 1.301 . . . . 0.0 113.283 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 155.22 1.64 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.468 -0.77 . . . . 0.0 112.507 173.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.8 p -53.48 -25.91 18.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.153 1.381 . . . . 0.0 114.499 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -141.44 38.45 1.7 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.764 1.226 . . . . 0.0 112.164 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 37.4 t80 -34.38 -51.11 0.45 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.386 1.875 . . . . 0.0 114.147 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -12.08 59.34 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.72 -15.85 7.35 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -120.02 -19.48 7.81 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.2 m -123.04 -13.62 7.75 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 127.275 2.23 . . . . 0.0 113.581 -172.083 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 117.375 2.361 . . . . 0.0 117.375 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -69.16 113.34 6.43 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.339 -1.476 . . . . 0.0 110.581 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.94 15.57 74.71 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.297 1.427 . . . . 0.0 114.955 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -133.73 -24.19 1.75 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.6 m -48.89 126.13 11.63 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.846 1.203 . . . . 0.0 113.896 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 67.07 31.04 7.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.516 1.927 . . . . 0.0 113.817 -176.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.72 -15.73 61.88 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.14 126.76 4.62 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.168 1.366 . . . . 0.0 111.969 -169.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.68 149.36 48.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.172 1.389 . . . . 0.0 113.998 -172.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -163.42 114.08 1.38 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.135 2.574 . . . . 0.0 105.544 168.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.6 -14.03 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.55 -16.99 60.2 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.46 156.57 38.65 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.05 0.94 . . . . 0.0 111.253 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -77.32 -9.52 58.88 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 p -143.79 149.5 37.15 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.687 1.995 . . . . 0.0 107.331 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -109.2 64.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 169.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.3 42.36 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.522 1.929 . . . . 0.0 111.743 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -149.36 169.23 21.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.06 2.144 . . . . 0.0 113.25 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.67 -36.84 62.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.493 2.317 . . . . 0.0 116.244 -170.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.6 mt -85.06 -1.74 57.18 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -172.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p -62.26 -34.97 77.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 m -63.87 -28.15 69.65 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.004 0.922 . . . . 0.0 113.287 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.76 -14.57 62.84 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.077 1.751 . . . . 0.0 113.424 173.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -117.38 -18.24 9.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.426 1.49 . . . . 0.0 114.204 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 60.21 5.98 0.92 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.611 2.364 . . . . 0.0 115.425 -172.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m -75.42 -0.65 20.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.677 1.991 . . . . 0.0 114.8 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -50.64 162.21 0.27 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.961 2.504 . . . . 0.0 117.385 -169.671 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -50.42 136.73 20.05 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.692 0.797 . . . . 0.0 110.817 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -62.42 -8.25 5.78 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -169.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -138.07 25.11 2.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.241 1.416 . . . . 0.0 112.624 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.404 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 51.2 t80 -33.51 -50.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.045 2.138 . . . . 0.0 115.267 -177.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 p -63.67 -12.7 36.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -27.7 5.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.894 1.278 . . . . 0.0 113.155 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -91.46 -44.35 9.17 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -9.05 9.48 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 127.803 2.441 . . . . 0.0 112.157 177.813 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 8.3 t . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -69.74 91.07 0.61 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.443 1.474 . . . . 0.0 111.446 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.77 3.4 8.42 Favored Glycine 0 CA--C 1.543 1.811 0 C-N-CA 126.742 2.115 . . . . 0.0 114.545 -171.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -132.1 -35.04 1.23 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 -169.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -46.15 130.86 10.31 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 67.92 27.7 7.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.123 2.169 . . . . 0.0 113.598 -171.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -21.35 64.32 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.148 -1.595 . . . . 0.0 114.744 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.17 153.09 29.2 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.054 1.311 . . . . 0.0 112.81 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.56 136.83 49.58 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -164.7 89.87 0.52 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.506 1.922 . . . . 0.0 108.789 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.263 3.1 p -58.89 -8.21 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -169.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.3 -28.48 66.31 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.909 -1.12 . . . . 0.0 113.097 169.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -72.28 154.23 41.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.5 1.12 . . . . 0.0 113.721 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.98 -23.59 66.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.397 1.879 . . . . 0.0 114.503 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 p -137.39 147.88 45.79 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.454 1.102 . . . . 0.0 110.095 169.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -102.45 66.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 168.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.1 m -72.67 47.9 0.19 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.649 1.98 . . . . 0.0 110.85 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -150.19 -179.82 7.5 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.439 1.896 . . . . 0.0 114.273 -168.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.42 -20.05 66.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -172.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.8 mt -104.35 -11.3 17.21 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.171 1.35 . . . . 0.0 114.142 -170.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 p -60.05 -28.41 67.76 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -63.99 -20.82 66.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.035 1.334 . . . . 0.0 113.08 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -92.46 -44.91 8.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.398 . . . . 0.0 111.627 169.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -73.15 -9.25 58.52 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 55.78 39.67 30.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.258 1.823 . . . . 0.0 113.211 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.2 p -130.28 14.65 5.61 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.893 1.677 . . . . 0.0 114.943 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.78 161.58 7.81 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 157.6 10.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.306 1.042 . . . . 0.0 111.594 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.6 p -57.3 -22.62 43.07 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -169.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -140.5 32.56 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.67 1.188 . . . . 0.0 112.365 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.415 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 63.0 t80 -29.82 -56.11 0.17 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.679 2.392 . . . . 0.0 116.01 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -10.27 51.51 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -30.19 4.58 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -104.81 -24.71 12.86 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 2.8 m -120.84 -9.06 9.35 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -175.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt . . . . . 0 CA--C 1.551 0.986 0 C-N-CA 126.969 2.107 . . . . 0.0 113.349 -169.567 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -68.81 104.09 1.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.715 1.143 . . . . 0.0 112.097 -168.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.14 -4.09 20.41 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 126.246 1.879 . . . . 0.0 114.906 -173.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -131.45 -28.51 1.86 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -169.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -38.16 124.61 1.22 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 66.91 27.73 8.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.616 2.367 . . . . 0.0 114.064 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -67.32 -15.07 63.48 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.6 138.14 10.12 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.11 1.338 . . . . 0.0 110.416 -168.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.4 ' CZ ' ' CE2' ' A' ' 28' ' ' TYR . 74.9 t80 -69.62 142.35 53.51 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.397 1.079 . . . . 0.0 113.669 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -156.08 94.31 1.51 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.842 1.657 . . . . 0.0 109.4 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.91 -13.49 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.72 -27.63 65.13 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -71.22 151.86 43.9 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -60.48 -28.57 68.45 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.495 1.518 . . . . 0.0 114.0 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.6 145.13 50.27 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.685 0.755 . . . . 0.0 110.745 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -100.31 65.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 168.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -67.15 38.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 127.341 2.256 . . . . 0.0 112.781 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -151.2 166.39 31.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.371 1.868 . . . . 0.0 113.071 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.46 -38.71 55.11 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.496 2.318 . . . . 0.0 116.085 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.97 -8.43 56.93 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 p -57.65 -27.71 63.07 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -63.68 -9.81 15.93 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.697 1.599 . . . . 0.0 114.2 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -111.17 -6.96 14.5 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.837 2.055 . . . . 0.0 112.582 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' CE2' ' CZ ' ' A' ' 13' ' ' PHE . 50.8 m-85 -120.08 -7.98 9.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 53.71 31.0 12.02 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.576 1.55 . . . . 0.0 113.761 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.1 m -127.74 21.11 6.5 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.268 1.827 . . . . 0.0 112.329 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.86 167.11 14.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.45 1.5 . . . . 0.0 114.3 -176.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.68 148.13 35.05 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.796 -0.565 . . . . 0.0 110.024 168.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -57.84 -23.04 50.94 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.549 1.54 . . . . 0.0 115.088 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.46 35.07 3.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 111.38 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 64.9 t80 -42.18 -52.37 4.39 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 p -65.31 -11.52 42.59 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.17 -25.25 5.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.743 1.217 . . . . 0.0 113.797 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -120.43 -20.56 7.16 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.7 m -120.92 -17.2 7.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -174.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 tptt . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 126.421 1.888 . . . . 0.0 112.567 -169.783 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -69.12 120.51 15.07 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.124 -1.61 . . . . 0.0 110.897 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.09 12.53 84.28 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.282 1.42 . . . . 0.0 115.191 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -133.33 -26.75 1.63 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -49.1 132.51 19.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.613 1.097 . . . . 0.0 113.906 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 62.64 27.94 16.39 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.029 2.132 . . . . 0.0 114.029 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.16 -19.92 65.98 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.22 151.06 7.88 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 124.944 1.259 . . . . 0.0 111.86 -169.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.25 138.78 54.24 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.167 -1.196 . . . . 0.0 112.765 -169.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -148.43 102.43 3.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.434 1.493 . . . . 0.0 107.277 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -50.73 -24.04 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 126.58 1.952 . . . . 0.0 114.78 -169.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.67 -21.57 55.22 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.72 150.2 47.2 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.414 1.085 . . . . 0.0 113.211 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.84 -38.27 86.09 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.389 1.476 . . . . 0.0 112.335 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.47 167.24 10.61 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.345 1.058 . . . . 0.0 108.634 168.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -125.07 69.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 169.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.9 m -73.32 38.48 0.09 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.288 1.835 . . . . 0.0 112.293 -171.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -144.57 177.7 8.49 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.28 -30.96 67.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.669 1.988 . . . . 0.0 115.784 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.6 mt -92.6 -0.72 57.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.121 0.968 . . . . 0.0 113.267 -173.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.7 p -63.19 -30.28 71.46 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -70.01 -31.61 69.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.057 0.943 . . . . 0.0 112.783 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -63.22 -22.65 67.0 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.444 1.097 . . . . 0.0 113.099 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -107.83 -12.06 15.26 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.951 1.3 . . . . 0.0 114.185 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 53.56 41.63 32.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.825 1.65 . . . . 0.0 112.685 -169.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.1 m -122.39 17.6 10.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.369 1.468 . . . . 0.0 113.845 -172.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 m -58.78 163.75 3.18 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.797 1.639 . . . . 0.0 115.242 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.19 151.67 12.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.541 1.136 . . . . 0.0 111.057 168.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.5 p -60.99 -18.92 60.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -172.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -133.38 30.93 3.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.91 1.684 . . . . 0.0 111.717 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -36.93 -53.25 0.95 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.417 1.887 . . . . 0.0 115.308 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 p -65.9 -12.19 52.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.35 -15.65 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.711 1.604 . . . . 0.0 113.919 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -120.28 -31.52 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.51 -25.32 5.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 120.27 1.396 . . . . 0.0 113.173 -169.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt . . . . . 0 N--CA 1.473 0.702 0 C-N-CA 128.777 2.831 . . . . 0.0 113.101 -176.268 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.4 t . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 79.96 0.39 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.73 1.212 . . . . 0.0 111.964 -170.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.74 -0.8 4.21 Favored Glycine 0 CA--C 1.544 1.845 0 C-N-CA 127.006 2.241 . . . . 0.0 115.104 -171.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -131.15 -27.26 2.04 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -45.81 128.83 9.08 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -170.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 55.86 33.69 22.06 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.252 2.221 . . . . 0.0 113.832 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.96 -22.85 64.84 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.429 -1.419 . . . . 0.0 114.379 170.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.7 137.84 7.06 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 127.014 2.245 . . . . 0.0 110.785 -172.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.09 140.21 54.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.801 0.81 . . . . 0.0 111.525 -173.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -160.73 103.16 1.34 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.988 1.715 . . . . 0.0 107.424 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.19 -16.2 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -171.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -68.21 -23.56 64.83 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.52 149.45 48.22 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.094 0.958 . . . . 0.0 112.17 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -59.08 -30.07 67.81 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -127.66 144.67 51.06 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.139 0.975 . . . . 0.0 110.94 169.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -96.29 65.58 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 167.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.91 33.48 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.631 2.373 . . . . 0.0 111.563 171.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -141.19 174.87 10.12 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 -167.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.74 -8.99 12.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.961 2.505 . . . . 0.0 116.582 -169.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -120.09 4.57 10.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.581 1.552 . . . . 0.0 113.258 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 p -58.58 -36.95 74.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -169.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.7 t -64.75 -39.66 93.99 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.867 0.867 . . . . 0.0 111.813 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.76 -13.4 23.1 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.868 1.667 . . . . 0.0 114.175 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.82 -0.35 13.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.463 1.505 . . . . 0.0 113.959 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 46.29 35.07 2.48 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.565 1.546 . . . . 0.0 113.227 -172.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 m -124.55 18.65 8.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.394 1.478 . . . . 0.0 114.035 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -58.44 160.21 5.56 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.757 1.223 . . . . 0.0 113.918 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -57.96 161.14 4.17 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.404 1.082 . . . . 0.0 111.507 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.8 p -55.61 -25.11 36.88 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -172.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.13 40.77 1.37 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.684 1.194 . . . . 0.0 112.213 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.445 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 65.3 t80 -39.83 -54.1 2.17 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.095 1.758 . . . . 0.0 114.81 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -13.84 61.05 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.37 -21.68 6.79 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -120.1 -20.27 7.48 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 1.9 m -120.94 -13.92 8.54 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 127.254 2.222 . . . . 0.0 113.958 -169.67 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 4.2 t . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -69.69 97.33 1.05 Allowed 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.358 -1.464 . . . . 0.0 111.201 -169.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.99 48.11 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.544 1.545 . . . . 0.0 114.666 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -129.37 -20.04 3.38 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -53.91 15.48 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.929 3.677 . . . . 0.0 120.929 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.6 p -142.28 15.6 2.04 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.763 2.825 . . . . 0.0 111.681 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.07 -15.56 45.9 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.22 143.34 13.62 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.449 1.5 . . . . 0.0 113.925 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -72.79 134.62 45.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.473 1.509 . . . . 0.0 114.221 -172.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -158.48 99.17 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.791 2.036 . . . . 0.0 106.723 169.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.56 -12.88 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -169.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.08 -18.07 60.87 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.22 152.6 44.87 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 121.032 -1.043 . . . . 0.0 112.39 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -63.95 -23.71 67.45 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.764 1.625 . . . . 0.0 113.993 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 p -137.81 158.45 44.32 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.27 1.828 . . . . 0.0 108.307 168.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -111.36 65.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m -72.95 50.06 0.25 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.185 2.194 . . . . 0.0 110.388 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -149.27 166.64 28.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.309 1.444 . . . . 0.0 112.633 -169.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.91 -23.36 53.04 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.4 mt -99.08 0.42 43.6 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 5.1 p -58.72 -21.26 54.58 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -168.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -76.28 -26.2 55.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -69.56 -28.79 66.3 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.865 -1.147 . . . . 0.0 113.372 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 5.9 p90 -120.8 14.07 11.61 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.653 1.581 . . . . 0.0 114.015 175.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 45.96 45.0 11.9 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.521 2.328 . . . . 0.0 116.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.9 m -131.76 25.47 4.69 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -173.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -54.52 164.13 0.78 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.513 1.525 . . . . 0.0 115.02 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.06 151.14 7.22 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.606 0.762 . . . . 0.0 111.392 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 p -59.16 -15.07 12.56 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -131.2 20.09 4.87 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.448 1.499 . . . . 0.0 113.021 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -38.48 -52.42 1.58 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -68.42 -6.51 25.05 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -32.06 4.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.773 1.629 . . . . 0.0 113.731 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -120.69 -18.63 7.66 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 2.8 m -120.49 -10.54 9.25 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.131 1.332 . . . . 0.0 114.25 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.5 pttt . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 126.254 1.821 . . . . 0.0 112.603 -176.799 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.86 89.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.198 0.999 . . . . 0.0 112.015 -170.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.91 4.95 12.29 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.998 2.237 . . . . 0.0 115.372 -172.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -133.21 -24.95 1.81 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.25 126.41 18.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.087 1.312 . . . . 0.0 113.556 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 62.99 30.3 16.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.472 1.909 . . . . 0.0 113.424 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -60.29 -20.82 60.67 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.55 152.32 14.29 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.506 1.527 . . . . 0.0 113.006 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -75.72 142.2 42.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.609 1.195 . . . . 0.0 113.988 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -155.95 119.35 4.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 128.093 2.557 . . . . 0.0 104.4 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.23 -10.34 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.8 -32.25 21.88 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -73.82 147.0 43.77 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.987 0.812 . . . . 0.0 113.176 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -69.57 -31.87 70.31 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.383 1.473 . . . . 0.0 114.715 -170.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 t -107.1 110.73 22.91 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.933 0.893 . . . . 0.0 109.62 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -87.31 70.49 10.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.396 1.569 . . . . 0.0 107.325 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 36.66 0.07 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.809 2.044 . . . . 0.0 111.146 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.0 178.16 8.41 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.529 1.931 . . . . 0.0 114.4 -167.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -63.02 -20.84 65.7 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.72 1.69 23.21 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.615 1.098 . . . . 0.0 113.509 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 -33.27 74.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -64.39 -35.08 79.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.075 0.95 . . . . 0.0 112.531 -176.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -63.52 -15.74 58.78 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.361 1.865 . . . . 0.0 113.653 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.63 -9.59 10.21 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.36 1.464 . . . . 0.0 114.344 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 54.59 33.99 20.35 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.158 1.783 . . . . 0.0 113.504 -172.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.1 m -116.8 19.6 14.37 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.605 1.562 . . . . 0.0 113.231 -173.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 m -60.66 162.67 6.29 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.444 1.498 . . . . 0.0 113.516 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 147.26 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.463 1.105 . . . . 0.0 113.033 168.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -61.61 -11.34 11.0 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -136.99 27.54 2.93 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.19 1.396 . . . . 0.0 112.487 171.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -38.54 -49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.679 1.992 . . . . 0.0 114.943 -174.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -10.88 41.06 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -173.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.72 -34.61 3.54 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 113.45 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -88.35 -36.42 16.62 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.1 -12.76 9.05 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -169.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 127.641 2.376 . . . . 0.0 113.488 -173.59 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -69.44 95.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.869 -1.144 . . . . 0.0 112.305 -169.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.29 0.18 14.3 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 127.084 2.278 . . . . 0.0 115.249 -173.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -133.52 -22.31 1.94 Allowed 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.96 129.09 19.96 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 57.66 23.83 9.86 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.435 2.294 . . . . 0.0 114.213 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.22 -24.36 67.84 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 119.849 -1.782 . . . . 0.0 114.863 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 161.15 12.49 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.79 1.662 . . . . 0.0 111.926 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.0 125.12 25.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.454 -1.027 . . . . 0.0 113.113 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -148.3 79.93 1.45 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.192 1.797 . . . . 0.0 110.338 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.56 -15.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.12 -6.43 51.17 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.97 2.108 . . . . 0.0 114.941 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -110.84 171.07 7.68 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.66 1.184 . . . . 0.0 113.199 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.94 -10.58 59.54 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.1 1.36 . . . . 0.0 114.491 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 p -139.92 149.64 43.58 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.221 1.408 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -106.53 63.53 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 169.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.7 m -68.56 43.87 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.234 2.214 . . . . 0.0 111.529 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -145.12 177.89 8.46 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -168.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.31 -18.23 57.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.599 2.36 . . . . 0.0 116.155 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -113.94 -4.5 13.25 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.693 1.197 . . . . 0.0 113.875 -169.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 p -60.11 -29.67 68.76 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -66.88 -8.52 29.7 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.53 1.532 . . . . 0.0 114.306 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -96.64 -41.66 8.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.505 1.522 . . . . 0.0 111.42 170.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -74.27 -23.59 59.14 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 65.68 1.34 1.73 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.463 2.305 . . . . 0.0 115.173 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -79.35 -0.6 33.31 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.97 1.708 . . . . 0.0 114.816 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -51.18 162.75 0.28 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 118.275 2.695 . . . . 0.0 118.275 -169.294 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.5 140.1 23.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.884 0.874 . . . . 0.0 111.256 169.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.7 p -63.21 -12.56 29.35 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -136.87 28.29 2.92 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 111.726 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 38.0 t80 -37.44 -50.04 1.06 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.95 2.1 . . . . 0.0 115.228 -173.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.53 -10.63 46.97 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.79 -39.2 2.75 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.405 1.082 . . . . 0.0 113.473 170.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.94 -34.92 32.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -118.87 -21.39 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -168.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt . . . . . 0 N--CA 1.482 1.152 0 C-N-CA 128.767 2.827 . . . . 0.0 116.217 -169.708 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 43.5 t . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -69.16 98.04 0.97 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.686 1.13 . . . . 0.0 111.815 -168.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.91 -8.27 6.08 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.788 2.137 . . . . 0.0 115.031 -170.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -134.4 -26.04 1.47 Allowed 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -44.49 147.26 0.6 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.6 24.44 8.54 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.235 1.814 . . . . 0.0 113.072 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.76 -12.33 61.49 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.16 131.57 7.06 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.385 1.469 . . . . 0.0 111.617 -169.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 57.3 t80 -70.24 142.77 52.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.086 1.354 . . . . 0.0 113.642 -171.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.08 113.16 3.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.918 1.687 . . . . 0.0 108.502 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 p -73.96 -8.51 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -171.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.35 -21.01 46.39 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -73.38 167.53 21.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.002 1.321 . . . . 0.0 113.43 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.02 -18.25 60.38 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.861 1.264 . . . . 0.0 113.482 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.6 p -141.47 150.13 41.83 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.239 1.816 . . . . 0.0 107.525 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -105.31 58.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 171.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -67.03 41.23 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 127.756 2.423 . . . . 0.0 114.239 -173.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -147.42 164.81 32.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.978 2.111 . . . . 0.0 112.768 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.54 -35.0 27.6 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.298 2.239 . . . . 0.0 116.961 -169.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -76.48 -13.94 60.07 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 p -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -172.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.2 p -68.32 -13.03 61.97 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 114.032 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -93.51 -44.2 8.35 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.447 1.499 . . . . 0.0 111.33 169.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 63.8 m-85 -75.17 -15.91 60.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 61.41 18.68 9.55 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.557 1.943 . . . . 0.0 114.844 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 p -100.31 -4.96 28.15 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.689 1.995 . . . . 0.0 114.85 -170.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.64 166.58 0.9 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 117.967 2.58 . . . . 0.0 117.967 -169.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 p -52.96 148.24 8.06 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.139 0.976 . . . . 0.0 110.672 168.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -54.04 -25.71 22.81 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.991 1.717 . . . . 0.0 115.02 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.28 29.43 3.66 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.236 1.414 . . . . 0.0 112.754 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.421 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 86.4 t80 -32.49 -58.14 0.33 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -7.46 28.69 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -31.56 4.27 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.294 1.438 . . . . 0.0 113.965 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -120.44 -16.62 8.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -169.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.432 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 1.8 m -120.77 1.03 10.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 125.533 1.533 . . . . 0.0 111.368 -171.303 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -66.71 101.31 0.79 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.359 0.981 . . . . 0.0 112.723 -168.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.83 28.56 73.46 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.038 1.78 . . . . 0.0 114.921 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -134.97 -36.16 0.83 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.2 m -46.87 138.86 5.94 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m 73.53 20.75 3.04 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.721 2.408 . . . . 0.0 112.738 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -62.55 -26.69 68.7 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.88 155.85 9.33 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.43 1.491 . . . . 0.0 112.94 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.03 132.96 35.4 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -158.68 102.52 1.7 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.535 1.934 . . . . 0.0 108.344 169.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.96 -10.15 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -76.98 -21.47 54.66 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -72.1 173.71 8.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.368 1.067 . . . . 0.0 113.536 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -80.23 -26.73 38.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.847 1.259 . . . . 0.0 112.778 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.58 145.82 51.44 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.432 1.11 . . . . 0.0 109.148 168.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -106.71 64.96 0.66 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -71.21 49.49 0.14 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.299 2.239 . . . . 0.0 110.74 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.36 178.41 7.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.858 1.663 . . . . 0.0 114.928 -168.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.61 -8.42 56.29 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -172.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.1 mt -120.04 -5.54 10.02 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.831 1.252 . . . . 0.0 113.516 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -59.33 -31.55 69.28 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -70.91 -31.27 67.85 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.176 -0.953 . . . . 0.0 112.618 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.6 -20.44 66.32 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.992 1.717 . . . . 0.0 112.966 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -106.57 -2.57 21.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.76 1.624 . . . . 0.0 113.78 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 48.06 36.32 6.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.479 1.912 . . . . 0.0 113.269 -171.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 p -110.31 -1.42 17.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.732 1.613 . . . . 0.0 114.977 -169.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.03 158.37 1.48 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 115.781 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.6 148.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.91 1.284 . . . . 0.0 112.952 169.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -57.03 -23.9 49.82 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.687 1.595 . . . . 0.0 114.61 -173.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -127.2 28.17 5.78 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.201 1.8 . . . . 0.0 111.501 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -44.48 -51.31 8.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.622 1.569 . . . . 0.0 114.17 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 p -67.07 -15.27 63.61 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.59 -23.36 11.86 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.995 1.318 . . . . 0.0 113.458 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.53 -51.41 2.17 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -89.22 -23.3 22.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -169.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? . . . . . 0 CA--C 1.55 0.947 0 C-N-CA 128.802 2.841 . . . . 0.0 115.629 -169.571 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -69.08 93.98 0.63 Allowed 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.79 -1.194 . . . . 0.0 111.558 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.08 16.66 34.67 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.93 1.729 . . . . 0.0 115.365 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -127.66 -23.78 3.38 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.88 1.84 . . . . 0.0 115.844 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 m -52.14 142.65 15.9 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 66.69 25.43 9.81 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.904 2.081 . . . . 0.0 113.385 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.06 -15.97 63.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.32 170.48 19.03 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.609 1.576 . . . . 0.0 112.176 -169.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -100.39 134.3 43.54 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.461 -1.023 . . . . 0.0 112.181 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -157.31 92.26 1.23 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.875 1.67 . . . . 0.0 108.493 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -56.29 -14.87 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.68 -25.45 63.89 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -69.86 153.63 43.04 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.66 -19.08 63.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.561 1.944 . . . . 0.0 114.104 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.8 p -140.59 148.03 40.33 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.211 1.404 . . . . 0.0 109.232 168.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.84 69.5 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 167.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.5 m -70.31 42.07 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.121 1.769 . . . . 0.0 111.821 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -152.01 172.99 15.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.239 1.816 . . . . 0.0 113.607 -169.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.05 -33.48 67.27 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.941 2.096 . . . . 0.0 115.908 -169.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.27 -4.96 59.27 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 p -60.98 -30.16 70.11 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -173.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -68.94 -5.2 19.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.813 1.245 . . . . 0.0 113.785 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -100.56 -9.31 22.13 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.6 1.96 . . . . 0.0 112.446 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -120.08 -11.2 9.29 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.835 1.654 . . . . 0.0 114.675 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 57.43 31.52 20.35 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.288 1.835 . . . . 0.0 113.926 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 p -120.69 20.94 11.65 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.881 2.072 . . . . 0.0 112.976 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.8 m -57.24 175.3 0.15 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.362 2.265 . . . . 0.0 114.548 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 m -50.47 162.26 0.25 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.086 0.954 . . . . 0.0 113.172 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -56.46 -27.74 57.74 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -143.47 41.12 1.46 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.166 1.386 . . . . 0.0 112.349 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -43.55 -48.92 7.56 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.303 1.841 . . . . 0.0 115.184 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 p -66.21 -14.13 61.42 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -10.24 9.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -120.1 -31.22 4.48 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.79 -21.91 6.46 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -169.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.5 tptt . . . . . 0 N--CA 1.478 0.925 0 C-N-CA 127.696 2.399 . . . . 0.0 113.074 -171.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 7.7 t . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.24 98.46 1.04 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.225 -1.547 . . . . 0.0 111.633 -169.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.85 11.82 31.57 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 126.084 1.802 . . . . 0.0 114.93 -171.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -131.47 -26.59 2.04 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 m -49.66 4.77 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 121.469 3.877 . . . . 0.0 121.469 -169.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.3 p -142.38 20.61 2.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.426 1.89 . . . . 0.0 112.112 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.91 -15.95 57.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.5 166.2 26.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.507 1.527 . . . . 0.0 113.302 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -107.4 136.12 47.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.401 1.081 . . . . 0.0 111.456 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -162.5 100.13 1.04 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.714 2.006 . . . . 0.0 105.87 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -11.85 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -169.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -74.82 -17.83 60.55 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.47 156.34 39.02 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.574 1.079 . . . . 0.0 112.716 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.97 -25.21 68.26 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.797 1.639 . . . . 0.0 113.603 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -141.6 158.42 43.86 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.837 1.255 . . . . 0.0 109.553 168.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -111.3 55.33 0.66 Allowed 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.769 1.227 . . . . 0.0 107.935 169.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.3 m -69.09 53.07 0.09 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.505 1.922 . . . . 0.0 111.552 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -154.63 169.14 24.57 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.426 2.291 . . . . 0.0 112.015 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.46 -10.61 0.26 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -117.46 -2.93 11.43 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.228 1.376 . . . . 0.0 114.597 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.4 p -69.19 -27.1 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -170.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -62.1 -29.11 70.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.379 0.991 . . . . 0.0 112.767 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -71.49 -16.7 62.36 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.05 2.14 . . . . 0.0 113.967 172.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -116.09 -15.11 11.15 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 54.29 29.66 11.14 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.136 1.774 . . . . 0.0 114.371 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 p -110.24 18.52 19.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.27 2.228 . . . . 0.0 113.057 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 179.61 7.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.693 1.597 . . . . 0.0 114.858 -170.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.97 162.06 4.5 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.932 0.893 . . . . 0.0 110.277 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.7 m -57.13 -28.43 62.71 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -172.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -139.61 33.16 2.03 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.38 1.072 . . . . 0.0 113.595 -170.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -36.05 -55.31 0.77 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -175.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.8 p -65.4 -9.04 21.76 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.25 -32.19 4.2 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.373 1.469 . . . . 0.0 113.708 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.56 -20.34 7.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.49 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 2.0 m -122.44 -0.13 9.33 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.1 pttt . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.121 0.968 . . . . 0.0 112.731 -170.772 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -69.03 97.93 0.92 Allowed 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.081 -1.012 . . . . 0.0 111.731 -168.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 32.7 76.94 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.986 1.279 . . . . 0.0 113.682 -169.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -34.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.37 153.34 43.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.18 29.15 3.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 128.456 2.702 . . . . 0.0 113.808 -175.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -20.89 60.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -173.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.41 144.93 15.07 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.592 1.568 . . . . 0.0 113.106 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -69.64 139.71 53.6 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 125.009 1.323 . . . . 0.0 114.045 -168.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -166.65 101.6 0.58 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.336 2.254 . . . . 0.0 107.009 168.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.73 -10.64 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.27 -20.66 60.78 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.54 1.136 . . . . 0.0 113.785 169.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -69.57 149.0 48.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.437 1.095 . . . . 0.0 111.635 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.13 -13.49 62.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.081 1.352 . . . . 0.0 113.516 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 p -142.23 144.05 33.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.9 1.68 . . . . 0.0 109.235 168.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -94.06 68.2 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.54 47.91 0.18 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.131 1.773 . . . . 0.0 110.45 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -154.31 179.87 8.58 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.874 1.67 . . . . 0.0 114.389 -169.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.53 -15.4 60.85 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -172.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.0 mt -111.53 1.82 17.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.993 1.269 . . . . 0.0 113.954 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 p -57.66 -36.76 72.32 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -68.57 -6.92 28.25 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.22 -13.91 27.74 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.455 1.902 . . . . 0.0 112.454 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.39 -15.98 8.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 65.62 3.66 2.52 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.572 2.349 . . . . 0.0 115.271 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 p -83.21 21.54 1.1 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.068 2.547 . . . . 0.0 113.958 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -58.52 160.34 5.52 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.901 1.68 . . . . 0.0 115.012 -176.25 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.05 155.13 8.7 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 122.976 0.51 . . . . 0.0 111.683 170.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 p -68.16 -14.05 62.68 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -170.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -137.27 15.73 3.0 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 -170.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 54.7 t80 -36.59 -62.8 0.44 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.726 2.41 . . . . 0.0 116.051 -169.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -2.73 16.12 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -172.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.65 -22.59 6.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.568 1.547 . . . . 0.0 113.32 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -120.62 -62.96 1.4 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.98 1.312 . . . . 0.0 114.052 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.53 -6.01 59.08 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptm . . . . . 0 CA--C 1.547 0.853 0 C-N-CA 127.979 2.511 . . . . 0.0 112.676 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 9.9 t . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -69.68 101.06 1.58 Allowed 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.039 -1.038 . . . . 0.0 110.697 -175.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.32 8.1 36.29 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.851 1.691 . . . . 0.0 114.988 -170.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -133.06 -38.18 0.97 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.633 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.9 m -38.7 142.96 0.17 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.325 42.3 p 70.94 38.2 1.18 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.854 2.462 . . . . 0.0 112.2 -169.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.86 -25.27 60.5 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.282 1.433 . . . . 0.0 114.429 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.7 155.44 10.16 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.407 1.003 . . . . 0.0 111.006 -168.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CE1' ' HB ' ' A' ' 15' ' ' VAL . 17.1 t80 -69.94 125.65 27.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.659 -0.907 . . . . 0.0 112.626 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -154.34 81.06 1.12 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.221 1.409 . . . . 0.0 109.23 172.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 2.3 p -56.65 -13.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -169.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.82 -22.67 65.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.919 1.288 . . . . 0.0 114.392 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -95.48 157.91 15.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -169.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.26 -26.07 68.61 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 t -136.0 135.52 39.56 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.569 0.747 . . . . 0.0 111.532 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -95.08 66.83 3.01 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 123.034 1.397 . . . . 0.0 107.256 168.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -81.22 52.3 1.78 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.198 1.799 . . . . 0.0 109.187 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -149.18 175.14 11.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.694 1.598 . . . . 0.0 114.215 -169.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.54 -23.11 65.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.945 2.098 . . . . 0.0 116.636 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -101.05 -1.64 33.68 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 120.275 1.398 . . . . 0.0 113.682 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 4.3 p -58.53 -22.03 54.12 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -73.6 -27.03 61.08 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.57 -29.04 65.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.487 1.115 . . . . 0.0 113.344 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 6.6 p90 -120.8 13.78 11.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.8 1.64 . . . . 0.0 114.126 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 45.74 48.77 11.62 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.678 2.391 . . . . 0.0 116.098 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -130.52 22.57 5.11 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -175.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.7 m -61.46 165.16 5.01 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.899 1.279 . . . . 0.0 114.42 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.68 154.54 0.67 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.761 1.225 . . . . 0.0 112.906 168.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -55.99 -20.44 16.48 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -141.71 36.33 1.62 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.97 1.308 . . . . 0.0 112.013 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 48.8 t80 -33.77 -54.84 0.46 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.086 2.155 . . . . 0.0 115.492 -177.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -11.05 58.61 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -172.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.41 -30.78 4.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.768 1.227 . . . . 0.0 114.117 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -103.72 -21.77 13.65 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 3.3 m -120.87 -28.66 4.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp . . . . . 0 CA--C 1.55 0.98 0 C-N-CA 129.525 3.13 . . . . 0.0 116.317 -169.606 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 118.314 2.709 . . . . 0.0 118.314 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -68.49 100.0 1.04 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.807 1.64 . . . . 0.0 111.977 -168.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.43 15.7 75.63 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 126.368 1.937 . . . . 0.0 115.212 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -141.4 -28.68 0.65 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -169.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -58.78 141.54 52.71 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 120.826 1.648 . . . . 0.0 115.245 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 59.35 29.89 19.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.467 2.707 . . . . 0.0 113.815 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.73 -14.34 60.33 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.94 129.97 5.89 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.151 1.357 . . . . 0.0 110.141 -168.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.412 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 77.0 t80 -69.14 139.74 54.69 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -150.9 112.85 4.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.39 1.876 . . . . 0.0 108.313 169.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -73.46 -6.4 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.44 -17.62 48.15 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.544 1.138 . . . . 0.0 113.999 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.68 169.23 13.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.971 1.308 . . . . 0.0 112.104 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -75.72 -51.83 11.82 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.201 -0.937 . . . . 0.0 110.302 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 p -93.46 157.56 16.15 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 167.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -115.22 69.93 0.73 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 168.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 98.9 m -70.31 38.46 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.31 1.844 . . . . 0.0 112.655 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -149.58 165.0 33.58 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.578 -1.326 . . . . 0.0 113.241 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.55 -35.67 13.84 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.797 2.439 . . . . 0.0 116.699 -169.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -80.29 -11.82 59.68 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.9 p -60.31 -27.9 67.69 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -173.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -74.66 -11.26 60.14 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.395 1.078 . . . . 0.0 113.696 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -90.33 -42.99 10.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 110.126 169.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 49.9 m-85 -75.29 -8.85 57.76 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 177.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 56.08 39.52 30.39 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.853 1.661 . . . . 0.0 112.892 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.5 p -124.23 5.14 8.49 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -52.89 159.35 1.16 Allowed 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 11.3 m -39.9 156.28 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.346 1.859 . . . . 0.0 115.581 173.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 m -54.53 -27.09 35.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.046 1.338 . . . . 0.0 113.775 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.49 24.45 3.18 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.385 1.474 . . . . 0.0 113.387 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -36.25 -54.46 0.81 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.736 2.015 . . . . 0.0 115.825 -170.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 p -70.35 -10.38 58.86 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.21 -14.23 11.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.448 1.499 . . . . 0.0 112.985 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -120.64 -72.01 0.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.542 1.537 . . . . 0.0 112.786 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 m -74.81 -21.81 59.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -168.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 129.011 2.924 . . . . 0.0 114.149 -172.163 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 CA--C 1.546 0.813 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 130.93 46.51 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.294 -1.504 . . . . 0.0 111.768 -168.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.54 -1.22 88.37 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 125.835 1.684 . . . . 0.0 115.681 -173.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.28 -22.37 1.76 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.2 m -45.48 143.75 1.76 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 59.51 31.05 20.74 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.32 2.248 . . . . 0.0 113.381 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.95 -20.62 65.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 161.97 22.56 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.258 1.409 . . . . 0.0 113.367 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -70.24 135.3 48.87 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.891 1.276 . . . . 0.0 113.818 -175.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -161.16 90.66 0.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.753 1.621 . . . . 0.0 109.801 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -62.82 -9.41 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.35 -26.48 64.7 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.945 -1.097 . . . . 0.0 113.158 169.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -76.0 149.18 37.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.33 1.052 . . . . 0.0 113.114 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.69 -15.84 63.18 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.981 1.713 . . . . 0.0 114.551 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 t -137.32 130.66 31.07 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.805 1.242 . . . . 0.0 111.072 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -87.5 73.74 9.44 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 m -81.1 47.04 0.97 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.07 1.348 . . . . 0.0 109.67 -174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -151.77 177.47 10.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.811 2.044 . . . . 0.0 114.303 -168.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.58 -20.75 63.66 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -171.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.1 mt -106.71 4.3 27.61 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.927 1.24 . . . . 0.0 113.485 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -61.11 -34.73 75.42 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -169.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.0 p -73.56 -28.87 62.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.727 0.811 . . . . 0.0 112.542 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -64.43 -17.31 63.68 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.022 1.729 . . . . 0.0 112.736 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -112.84 0.88 15.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.932 1.693 . . . . 0.0 113.79 172.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 47.35 35.52 4.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.0 1.72 . . . . 0.0 113.451 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -125.1 19.38 8.34 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.286 1.434 . . . . 0.0 113.741 -169.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.1 m -61.24 159.21 12.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.091 1.356 . . . . 0.0 113.82 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.61 151.26 2.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.916 0.887 . . . . 0.0 111.04 168.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.9 p -56.86 -17.44 9.41 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -135.58 28.95 3.28 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.475 1.91 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.472 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 62.3 t80 -42.49 -52.7 4.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.938 1.295 . . . . 0.0 114.207 -172.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 p -66.22 -9.7 34.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.29 -27.24 5.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.314 1.446 . . . . 0.0 113.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.21 -21.09 7.11 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -173.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 1.4 m -120.85 -15.63 8.3 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -175.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 126.642 1.977 . . . . 0.0 112.64 -171.728 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -69.59 117.93 11.82 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.209 -0.932 . . . . 0.0 110.812 -169.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.01 10.16 85.22 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.705 1.145 . . . . 0.0 115.027 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -134.73 -30.31 1.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.34 125.54 9.71 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.426 1.012 . . . . 0.0 113.177 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m 64.07 28.76 14.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.403 1.881 . . . . 0.0 113.282 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.03 -15.04 61.89 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.47 7.53 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.832 1.682 . . . . 0.0 112.424 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.65 135.92 50.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.277 1.031 . . . . 0.0 112.301 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -162.24 101.95 1.1 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.766 2.027 . . . . 0.0 106.444 169.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.272 6.2 p -60.99 -8.23 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.32 -23.5 61.17 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.868 1.267 . . . . 0.0 113.79 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -69.48 146.57 51.82 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.852 1.261 . . . . 0.0 112.109 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -63.04 -27.09 69.17 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.3 t -129.51 133.65 47.36 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.45 1.1 . . . . 0.0 109.964 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -91.37 65.91 5.42 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 168.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.3 m -77.68 43.47 0.41 Allowed 'General case' 0 CA--C 1.554 1.11 0 O-C-N 120.624 -1.298 . . . . 0.0 110.188 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -142.14 164.54 29.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.995 1.718 . . . . 0.0 114.004 -169.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.39 -12.56 1.72 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.534 2.733 . . . . 0.0 117.465 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.09 -2.63 16.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.519 1.528 . . . . 0.0 113.766 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.32 -30.4 70.79 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -170.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.5 p -69.43 -26.61 64.69 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.534 -0.728 . . . . 0.0 112.388 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.89 -19.33 65.0 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.226 1.811 . . . . 0.0 112.77 169.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -108.1 -6.39 16.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.028 1.731 . . . . 0.0 114.034 173.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 51.45 37.17 18.58 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.539 1.936 . . . . 0.0 114.068 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 p -127.16 17.47 7.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.514 1.526 . . . . 0.0 114.241 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 m -61.23 170.53 1.67 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.994 1.718 . . . . 0.0 114.418 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -47.11 152.3 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.004 0.922 . . . . 0.0 112.822 169.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -50.75 -27.33 6.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.099 1.76 . . . . 0.0 114.628 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.94 18.93 5.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.431 1.492 . . . . 0.0 113.18 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -31.81 -58.85 0.28 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.0 2.12 . . . . 0.0 115.172 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -9.34 32.12 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -171.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -27.71 5.17 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.104 1.361 . . . . 0.0 113.823 173.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -120.25 -18.77 7.91 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -120.35 -9.5 9.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 176.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 tttt . . . . . 0 CA--C 1.55 0.944 0 C-N-CA 127.689 2.395 . . . . 0.0 114.776 -169.704 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.763 -0.088 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -150.58 156.2 40.91 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.161 1.384 . . . . 0.0 111.027 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.55 177.09 8.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.244 1.417 . . . . 0.0 112.435 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.0 p -144.91 177.39 8.78 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.872 1.669 . . . . 0.0 111.198 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 t -62.45 -9.27 7.94 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -69.36 104.04 2.16 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.226 -1.546 . . . . 0.0 111.013 -170.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.07 6.16 45.91 Favored Glycine 0 CA--C 1.543 1.804 0 C-N-CA 126.08 1.8 . . . . 0.0 115.093 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -132.38 -21.39 2.3 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -170.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.5 120.48 6.71 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 m 52.12 42.89 30.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.646 1.978 . . . . 0.0 113.312 -172.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -63.29 -21.49 66.28 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.29 153.15 25.95 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.559 1.552 . . . . 0.0 113.114 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -69.8 133.31 47.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.449 1.1 . . . . 0.0 113.844 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -160.53 89.41 0.82 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.125 1.77 . . . . 0.0 108.568 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 p -57.74 -13.57 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 -169.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.17 -27.44 66.42 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.064 -1.023 . . . . 0.0 113.6 170.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -72.26 148.31 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.344 1.057 . . . . 0.0 113.221 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -64.23 -23.14 67.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.412 1.485 . . . . 0.0 114.754 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -130.53 125.65 34.8 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 111.337 169.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -85.97 69.77 10.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 167.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -75.84 48.15 0.46 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.724 1.61 . . . . 0.0 109.885 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -152.45 -179.89 7.97 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.544 1.938 . . . . 0.0 115.116 -168.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -61.47 -19.75 62.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.698 2.399 . . . . 0.0 116.87 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.2 mt -109.6 1.33 19.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.913 1.233 . . . . 0.0 113.806 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.8 p -63.17 -30.62 71.73 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -172.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 p -64.05 -33.84 76.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.248 0.931 . . . . 0.0 112.828 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -67.12 -15.18 63.56 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.701 2.0 . . . . 0.0 113.535 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -120.17 -9.28 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 52.06 39.79 27.17 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.787 1.635 . . . . 0.0 113.695 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 p -129.1 21.5 5.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.755 2.022 . . . . 0.0 112.995 -171.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -76.41 166.99 22.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.15 1.78 . . . . 0.0 114.594 -175.609 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.02 148.78 7.37 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.797 0.839 . . . . 0.0 111.547 168.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 p -58.01 -19.01 27.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -143.43 38.65 1.39 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.092 1.357 . . . . 0.0 112.185 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.409 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 42.6 t80 -38.8 -52.11 1.72 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.918 1.687 . . . . 0.0 114.42 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -11.29 57.42 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.56 -12.67 8.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.061 1.345 . . . . 0.0 114.439 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -118.14 -36.53 3.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.17 -6.27 10.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.562 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -45.96 120.1 5.18 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.929 2.092 . . . . 0.0 112.009 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.13 158.83 0.29 Allowed 'Trans proline' 0 CA--C 1.539 0.749 1 C-N-CA 125.697 4.264 . . . . 0.0 115.302 172.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -55.2 142.71 30.23 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.04 50.65 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 127.153 2.181 . . . . 0.0 109.746 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.3 p -51.03 141.06 14.55 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.046 1.738 . . . . 0.0 113.474 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -119.37 -21.34 7.51 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -169.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 138.4 -7.68 3.41 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.854 1.216 . . . . 0.0 114.78 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -134.6 14.88 3.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.666 1.986 . . . . 0.0 113.342 -171.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -151.44 128.25 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.046 1.738 . . . . 0.0 110.236 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -146.26 30.82 1.02 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.653 1.581 . . . . 0.0 111.333 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.4 m -131.35 147.52 52.58 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.259 1.423 . . . . 0.0 111.457 -169.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.484 1.914 . . . . 0.0 111.16 178.924 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -142.85 141.98 31.7 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.008 1.323 . . . . 0.0 111.294 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -82.6 79.4 9.03 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.736 1.214 . . . . 0.0 111.475 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.5 p -152.34 178.32 9.65 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.332 1.053 . . . . 0.0 112.793 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t -70.06 1.77 4.29 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -174.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 117.41 10.66 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 119.799 -1.813 . . . . 0.0 109.704 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.57 79.22 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.816 1.198 . . . . 0.0 115.191 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -129.11 -21.69 3.25 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.5 m -56.94 127.54 32.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.395 0.998 . . . . 0.0 113.256 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m 53.25 38.96 28.96 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.857 2.063 . . . . 0.0 113.957 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.36 -19.24 65.4 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.89 143.48 14.97 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.144 1.354 . . . . 0.0 113.543 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.82 137.61 51.95 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.026 1.331 . . . . 0.0 114.393 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -167.87 98.17 0.46 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.401 2.28 . . . . 0.0 106.523 169.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -59.33 -11.1 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -169.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -75.36 -18.05 60.07 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.76 149.53 47.88 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.093 . . . . 0.0 112.073 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -62.91 -27.5 69.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.1 t -132.23 132.18 42.84 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.334 1.054 . . . . 0.0 110.583 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -87.52 67.98 9.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 168.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.9 m -79.29 53.05 1.42 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.279 1.432 . . . . 0.0 108.92 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -149.82 -179.5 7.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 115.498 -168.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.04 -13.71 62.19 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.299 2.24 . . . . 0.0 116.88 -174.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.45 0.51 11.63 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.114 1.325 . . . . 0.0 113.338 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -63.53 -32.42 73.88 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -71.65 -29.14 64.29 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 112.529 -174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.82 -17.8 64.56 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.391 1.877 . . . . 0.0 113.043 169.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.21 -2.37 14.93 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.933 1.693 . . . . 0.0 113.799 173.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 49.37 38.82 14.86 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.393 1.877 . . . . 0.0 113.703 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 p -127.96 17.7 6.71 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.376 1.471 . . . . 0.0 114.264 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.6 m -61.35 164.33 5.66 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.257 1.423 . . . . 0.0 114.002 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.33 155.71 0.48 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.848 1.259 . . . . 0.0 113.533 168.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 m -51.02 -28.32 9.8 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.858 2.063 . . . . 0.0 115.227 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -139.01 32.11 2.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.117 1.367 . . . . 0.0 112.252 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -34.89 -50.96 0.5 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.156 2.183 . . . . 0.0 115.931 -171.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -11.85 53.79 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.57 -31.51 4.28 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.478 1.111 . . . . 0.0 113.471 170.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.95 -37.17 17.84 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.95 -10.32 9.11 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -40.25 109.21 0.57 Allowed Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.699 1.999 . . . . 0.0 113.675 -170.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.91 157.82 7.38 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 124.555 3.503 . . . . 0.0 114.616 172.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.92 119.2 8.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.713 0.805 . . . . 0.0 111.365 174.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.7 t -70.17 140.77 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.559 1.143 . . . . 0.0 110.495 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -73.69 53.27 0.43 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.259 1.824 . . . . 0.0 112.521 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.94 -33.84 72.44 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.814 1.646 . . . . 0.0 114.206 -170.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 142.48 -28.97 2.17 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.0 1.286 . . . . 0.0 113.987 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -128.26 10.05 6.24 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.202 1.801 . . . . 0.0 113.144 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -152.56 146.37 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 128.22 2.608 . . . . 0.0 108.714 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -164.87 -43.75 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.53 1.132 . . . . 0.0 113.276 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 t -140.23 21.1 2.42 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.38 1.072 . . . . 0.0 113.231 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 C--O 1.251 1.139 0 C-N-CA 127.048 2.139 . . . . 0.0 111.514 -177.328 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.486 0.184 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -69.92 163.65 25.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.701 1.2 . . . . 0.0 113.429 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -71.0 79.27 0.65 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.283 1.433 . . . . 0.0 111.926 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.6 t -69.55 161.3 29.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.831 0.824 . . . . 0.0 111.12 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t -119.91 -5.75 10.08 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.502 1.521 . . . . 0.0 113.856 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -69.71 90.57 0.59 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.59 1.156 . . . . 0.0 112.14 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.05 -2.55 5.15 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 126.784 2.135 . . . . 0.0 114.902 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -134.11 -30.53 1.19 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 m -48.66 145.77 3.47 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -169.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m 67.7 24.01 8.5 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.652 1.581 . . . . 0.0 112.471 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.53 -18.64 64.04 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.617 -1.302 . . . . 0.0 114.434 171.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.69 155.93 11.25 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.554 1.55 . . . . 0.0 113.643 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -70.03 135.18 49.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.437 1.495 . . . . 0.0 113.124 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -161.01 84.65 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.52 1.528 . . . . 0.0 109.717 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -58.76 -12.15 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.81 -22.94 65.15 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.772 1.229 . . . . 0.0 114.14 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -93.56 157.27 16.28 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -169.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.34 -22.25 64.75 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.65 1.98 . . . . 0.0 115.245 -170.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 p -138.26 143.99 40.32 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.951 0.9 . . . . 0.0 110.458 169.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -97.26 70.47 2.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.0 m -74.43 46.88 0.28 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.549 1.54 . . . . 0.0 110.556 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.3 -179.63 7.52 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.696 1.999 . . . . 0.0 114.428 -168.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.48 -19.04 65.32 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.446 2.299 . . . . 0.0 116.643 -171.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -110.65 4.08 19.85 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.76 1.224 . . . . 0.0 113.265 -171.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 p -59.79 -37.29 78.7 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.4 p -75.64 -29.0 59.01 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.758 0.823 . . . . 0.0 112.851 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -63.42 -21.83 66.52 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.623 1.569 . . . . 0.0 112.914 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -107.98 1.56 22.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.537 1.535 . . . . 0.0 113.719 172.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 47.07 36.95 4.63 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.949 1.7 . . . . 0.0 113.257 -172.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -125.96 20.26 7.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.265 1.426 . . . . 0.0 113.898 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 m -53.99 165.09 0.51 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.954 1.301 . . . . 0.0 113.283 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 155.22 1.64 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.468 -0.77 . . . . 0.0 112.507 173.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.8 p -53.48 -25.91 18.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.153 1.381 . . . . 0.0 114.499 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -141.44 38.45 1.7 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.764 1.226 . . . . 0.0 112.164 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 37.4 t80 -34.38 -51.11 0.45 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.386 1.875 . . . . 0.0 114.147 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -12.08 59.34 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.72 -15.85 7.35 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -120.02 -19.48 7.81 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.2 m -123.04 -13.62 7.75 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -47.43 113.96 2.81 Favored Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 127.275 2.23 . . . . 0.0 113.581 -172.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.2 129.76 29.79 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.689 2.926 . . . . 0.0 112.088 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -70.65 140.23 51.51 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.387 0.675 . . . . 0.0 110.794 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.2 m -143.67 162.52 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.596 1.559 . . . . 0.0 111.981 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.4 m -57.09 124.21 17.95 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.836 1.254 . . . . 0.0 111.015 173.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.55 164.22 38.61 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.347 1.459 . . . . 0.0 111.547 -174.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.31 16.72 58.21 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.311 1.434 . . . . 0.0 113.962 170.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -149.97 178.44 8.92 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.891 2.476 . . . . 0.0 109.176 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.7 m -122.82 149.68 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.904 -1.123 . . . . 0.0 113.157 -175.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -149.89 130.0 13.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.161 1.784 . . . . 0.0 109.669 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.7 p -144.29 167.07 23.32 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.426 1.49 . . . . 0.0 112.236 -171.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.4 mtp . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.119 1.768 . . . . 0.0 113.628 -178.747 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.233 0.063 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -141.56 166.7 24.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.5 1.52 . . . . 0.0 111.685 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -136.99 170.98 15.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.177 1.791 . . . . 0.0 110.393 171.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.2 p -136.8 165.79 25.11 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.397 1.079 . . . . 0.0 112.529 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.16 0.85 39.06 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 117.375 2.361 . . . . 0.0 117.375 -169.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -69.16 113.34 6.43 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.339 -1.476 . . . . 0.0 110.581 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.94 15.57 74.71 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.297 1.427 . . . . 0.0 114.955 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -133.73 -24.19 1.75 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.6 m -48.89 126.13 11.63 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.846 1.203 . . . . 0.0 113.896 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 67.07 31.04 7.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.516 1.927 . . . . 0.0 113.817 -176.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.72 -15.73 61.88 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.14 126.76 4.62 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.168 1.366 . . . . 0.0 111.969 -169.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.68 149.36 48.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.172 1.389 . . . . 0.0 113.998 -172.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -163.42 114.08 1.38 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.135 2.574 . . . . 0.0 105.544 168.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.6 -14.03 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.55 -16.99 60.2 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.46 156.57 38.65 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.05 0.94 . . . . 0.0 111.253 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -77.32 -9.52 58.88 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 p -143.79 149.5 37.15 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.687 1.995 . . . . 0.0 107.331 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -109.2 64.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 169.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.3 42.36 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.522 1.929 . . . . 0.0 111.743 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -149.36 169.23 21.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.06 2.144 . . . . 0.0 113.25 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.67 -36.84 62.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.493 2.317 . . . . 0.0 116.244 -170.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.6 mt -85.06 -1.74 57.18 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -172.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p -62.26 -34.97 77.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 m -63.87 -28.15 69.65 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.004 0.922 . . . . 0.0 113.287 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.76 -14.57 62.84 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.077 1.751 . . . . 0.0 113.424 173.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -117.38 -18.24 9.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.426 1.49 . . . . 0.0 114.204 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 60.21 5.98 0.92 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.611 2.364 . . . . 0.0 115.425 -172.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m -75.42 -0.65 20.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.677 1.991 . . . . 0.0 114.8 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -50.64 162.21 0.27 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.961 2.504 . . . . 0.0 117.385 -169.671 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -50.42 136.73 20.05 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.692 0.797 . . . . 0.0 110.817 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -62.42 -8.25 5.78 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -169.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -138.07 25.11 2.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.241 1.416 . . . . 0.0 112.624 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.404 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 51.2 t80 -33.51 -50.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.045 2.138 . . . . 0.0 115.267 -177.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 p -63.67 -12.7 36.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -27.7 5.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.894 1.278 . . . . 0.0 113.155 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -91.46 -44.35 9.17 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -9.05 9.48 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -42.84 112.79 1.21 Allowed Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 127.803 2.441 . . . . 0.0 112.157 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.57 166.49 29.68 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.424 3.416 . . . . 0.0 111.921 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.92 146.61 54.51 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.932 0.893 . . . . 0.0 112.861 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.0 t -143.82 135.24 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.092 1.757 . . . . 0.0 109.471 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -82.35 153.52 25.73 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.968 0.907 . . . . 0.0 113.194 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.64 -27.64 67.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.034 1.334 . . . . 0.0 112.125 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.51 -24.71 10.22 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.296 1.903 . . . . 0.0 112.569 -173.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -150.43 123.96 9.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.314 1.845 . . . . 0.0 109.999 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.71 148.89 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.804 1.642 . . . . 0.0 109.794 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -66.01 -26.37 67.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -158.91 154.57 26.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.98 1.312 . . . . 0.0 111.789 170.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.8 ttm . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.628 1.971 . . . . 0.0 111.103 173.157 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -136.62 79.73 1.78 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.137 1.375 . . . . 0.0 110.348 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -71.15 171.59 10.72 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.696 1.598 . . . . 0.0 112.445 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.6 p -144.29 175.17 10.29 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.305 1.042 . . . . 0.0 113.156 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 8.3 t -72.55 -7.55 50.67 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -69.74 91.07 0.61 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.443 1.474 . . . . 0.0 111.446 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.77 3.4 8.42 Favored Glycine 0 CA--C 1.543 1.811 0 C-N-CA 126.742 2.115 . . . . 0.0 114.545 -171.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -132.1 -35.04 1.23 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 -169.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -46.15 130.86 10.31 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 67.92 27.7 7.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.123 2.169 . . . . 0.0 113.598 -171.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -21.35 64.32 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.148 -1.595 . . . . 0.0 114.744 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.17 153.09 29.2 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.054 1.311 . . . . 0.0 112.81 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.56 136.83 49.58 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -164.7 89.87 0.52 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.506 1.922 . . . . 0.0 108.789 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.263 3.1 p -58.89 -8.21 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -169.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.3 -28.48 66.31 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.909 -1.12 . . . . 0.0 113.097 169.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -72.28 154.23 41.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.5 1.12 . . . . 0.0 113.721 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.98 -23.59 66.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.397 1.879 . . . . 0.0 114.503 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 p -137.39 147.88 45.79 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.454 1.102 . . . . 0.0 110.095 169.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -102.45 66.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 168.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.1 m -72.67 47.9 0.19 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.649 1.98 . . . . 0.0 110.85 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -150.19 -179.82 7.5 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.439 1.896 . . . . 0.0 114.273 -168.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.42 -20.05 66.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -172.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.8 mt -104.35 -11.3 17.21 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.171 1.35 . . . . 0.0 114.142 -170.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 p -60.05 -28.41 67.76 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -63.99 -20.82 66.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.035 1.334 . . . . 0.0 113.08 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -92.46 -44.91 8.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.398 . . . . 0.0 111.627 169.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -73.15 -9.25 58.52 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 55.78 39.67 30.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.258 1.823 . . . . 0.0 113.211 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.2 p -130.28 14.65 5.61 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.893 1.677 . . . . 0.0 114.943 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.78 161.58 7.81 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 157.6 10.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.306 1.042 . . . . 0.0 111.594 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.6 p -57.3 -22.62 43.07 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -169.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -140.5 32.56 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.67 1.188 . . . . 0.0 112.365 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.415 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 63.0 t80 -29.82 -56.11 0.17 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.679 2.392 . . . . 0.0 116.01 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -10.27 51.51 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -30.19 4.58 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -104.81 -24.71 12.86 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 2.8 m -120.84 -9.06 9.35 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -175.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -38.51 105.38 0.34 Allowed Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 126.969 2.107 . . . . 0.0 113.349 -169.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -79.05 -169.46 0.8 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.475 3.45 . . . . 0.0 112.147 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 150.9 2.03 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.75 1.22 . . . . 0.0 112.9 172.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.3 t -131.12 142.22 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.014 1.726 . . . . 0.0 110.419 -174.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.3 p -142.4 170.12 16.3 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.009 1.324 . . . . 0.0 111.88 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -14.19 53.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.106 1.762 . . . . 0.0 114.137 171.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.31 -48.32 2.8 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.871 1.7 . . . . 0.0 113.243 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.2 -19.56 60.49 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.6 m -148.69 160.87 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 128.321 2.648 . . . . 0.0 110.77 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -74.72 -13.76 60.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 m -58.36 145.99 36.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.931 1.292 . . . . 0.0 111.079 172.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 124.715 1.206 . . . . 0.0 113.414 174.559 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 110.649 -0.13 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -139.35 172.51 12.72 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.345 1.858 . . . . 0.0 111.37 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -143.71 140.04 29.8 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.655 1.182 . . . . 0.0 111.662 -174.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.4 t -70.52 150.27 46.3 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.706 1.202 . . . . 0.0 114.099 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 28.3 t -76.38 -7.39 54.92 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 170.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -68.81 104.09 1.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.715 1.143 . . . . 0.0 112.097 -168.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.14 -4.09 20.41 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 126.246 1.879 . . . . 0.0 114.906 -173.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -131.45 -28.51 1.86 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -169.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -38.16 124.61 1.22 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 66.91 27.73 8.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.616 2.367 . . . . 0.0 114.064 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -67.32 -15.07 63.48 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.6 138.14 10.12 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.11 1.338 . . . . 0.0 110.416 -168.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.4 ' CZ ' ' CE2' ' A' ' 28' ' ' TYR . 74.9 t80 -69.62 142.35 53.51 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.397 1.079 . . . . 0.0 113.669 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -156.08 94.31 1.51 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.842 1.657 . . . . 0.0 109.4 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.91 -13.49 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.72 -27.63 65.13 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -71.22 151.86 43.9 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -60.48 -28.57 68.45 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.495 1.518 . . . . 0.0 114.0 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.6 145.13 50.27 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.685 0.755 . . . . 0.0 110.745 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -100.31 65.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 168.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -67.15 38.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 127.341 2.256 . . . . 0.0 112.781 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -151.2 166.39 31.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.371 1.868 . . . . 0.0 113.071 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.46 -38.71 55.11 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.496 2.318 . . . . 0.0 116.085 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.97 -8.43 56.93 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 p -57.65 -27.71 63.07 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -63.68 -9.81 15.93 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.697 1.599 . . . . 0.0 114.2 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -111.17 -6.96 14.5 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.837 2.055 . . . . 0.0 112.582 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' CE2' ' CZ ' ' A' ' 13' ' ' PHE . 50.8 m-85 -120.08 -7.98 9.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 53.71 31.0 12.02 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.576 1.55 . . . . 0.0 113.761 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.1 m -127.74 21.11 6.5 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.268 1.827 . . . . 0.0 112.329 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.86 167.11 14.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.45 1.5 . . . . 0.0 114.3 -176.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.68 148.13 35.05 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.796 -0.565 . . . . 0.0 110.024 168.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -57.84 -23.04 50.94 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.549 1.54 . . . . 0.0 115.088 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.46 35.07 3.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 111.38 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 64.9 t80 -42.18 -52.37 4.39 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 p -65.31 -11.52 42.59 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.17 -25.25 5.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.743 1.217 . . . . 0.0 113.797 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -120.43 -20.56 7.16 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.7 m -120.92 -17.2 7.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -174.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -50.36 118.08 8.88 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.421 1.888 . . . . 0.0 112.567 -169.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -46.94 145.93 6.5 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 125.017 3.811 . . . . 0.0 114.387 172.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -76.24 82.87 3.03 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.005 0.922 . . . . 0.0 111.075 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.71 142.64 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.294 1.438 . . . . 0.0 111.147 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.6 p -130.53 30.45 4.69 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.548 1.539 . . . . 0.0 112.897 -176.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -62.75 -23.29 67.12 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.942 2.097 . . . . 0.0 115.059 -174.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.82 14.35 63.17 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.562 1.077 . . . . 0.0 113.81 -171.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -141.92 28.7 1.73 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.038 1.735 . . . . 0.0 111.752 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.64 159.05 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.098 1.759 . . . . 0.0 110.738 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -98.47 0.16 44.63 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -174.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -81.49 4.29 21.71 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.707 1.603 . . . . 0.0 114.128 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.3 ptm . . . . . 0 C--O 1.254 1.292 0 C-N-CA 126.788 2.035 . . . . 0.0 113.232 -174.673 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -136.55 164.88 27.16 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.284 1.434 . . . . 0.0 111.917 -169.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -140.32 167.79 21.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.987 1.715 . . . . 0.0 111.221 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.6 p -69.93 165.23 22.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.54 1.136 . . . . 0.0 113.448 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 t -67.84 -0.42 4.2 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -69.12 120.51 15.07 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.124 -1.61 . . . . 0.0 110.897 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.09 12.53 84.28 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.282 1.42 . . . . 0.0 115.191 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -133.33 -26.75 1.63 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -49.1 132.51 19.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.613 1.097 . . . . 0.0 113.906 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 62.64 27.94 16.39 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.029 2.132 . . . . 0.0 114.029 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.16 -19.92 65.98 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.22 151.06 7.88 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 124.944 1.259 . . . . 0.0 111.86 -169.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.25 138.78 54.24 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.167 -1.196 . . . . 0.0 112.765 -169.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -148.43 102.43 3.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.434 1.493 . . . . 0.0 107.277 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -50.73 -24.04 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 126.58 1.952 . . . . 0.0 114.78 -169.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.67 -21.57 55.22 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.72 150.2 47.2 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.414 1.085 . . . . 0.0 113.211 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.84 -38.27 86.09 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.389 1.476 . . . . 0.0 112.335 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.47 167.24 10.61 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.345 1.058 . . . . 0.0 108.634 168.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -125.07 69.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 169.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.9 m -73.32 38.48 0.09 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.288 1.835 . . . . 0.0 112.293 -171.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -144.57 177.7 8.49 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.28 -30.96 67.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.669 1.988 . . . . 0.0 115.784 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.6 mt -92.6 -0.72 57.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.121 0.968 . . . . 0.0 113.267 -173.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.7 p -63.19 -30.28 71.46 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -70.01 -31.61 69.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.057 0.943 . . . . 0.0 112.783 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -63.22 -22.65 67.0 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.444 1.097 . . . . 0.0 113.099 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -107.83 -12.06 15.26 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.951 1.3 . . . . 0.0 114.185 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 53.56 41.63 32.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.825 1.65 . . . . 0.0 112.685 -169.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.1 m -122.39 17.6 10.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.369 1.468 . . . . 0.0 113.845 -172.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 m -58.78 163.75 3.18 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.797 1.639 . . . . 0.0 115.242 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.19 151.67 12.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.541 1.136 . . . . 0.0 111.057 168.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.5 p -60.99 -18.92 60.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -172.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -133.38 30.93 3.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.91 1.684 . . . . 0.0 111.717 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -36.93 -53.25 0.95 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.417 1.887 . . . . 0.0 115.308 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 p -65.9 -12.19 52.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.35 -15.65 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.711 1.604 . . . . 0.0 113.919 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -120.28 -31.52 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.51 -25.32 5.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 120.27 1.396 . . . . 0.0 113.173 -169.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -37.27 101.51 0.22 Allowed Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 128.777 2.831 . . . . 0.0 113.101 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -62.5 16.31 0.05 OUTLIER 'Trans proline' 0 CA--C 1.544 0.978 1 C-N-CA 125.675 4.25 . . . . 0.0 119.515 -174.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -163.94 136.59 5.1 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.199 2.199 . . . . 0.0 110.452 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.08 40.39 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.207 1.003 . . . . 0.0 111.483 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 m -59.92 128.77 38.5 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.409 1.484 . . . . 0.0 111.476 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -135.2 4.98 3.24 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.362 1.465 . . . . 0.0 114.457 -175.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.43 0.23 89.36 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.642 1.115 . . . . 0.0 115.218 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -139.66 17.57 2.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.966 1.706 . . . . 0.0 112.186 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.0 p -157.27 160.51 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.928 2.091 . . . . 0.0 110.28 -172.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -57.62 157.83 6.68 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.554 1.142 . . . . 0.0 113.301 175.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.4 p -77.21 13.94 1.03 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.022 1.729 . . . . 0.0 115.471 -172.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.0 ttp . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.694 1.598 . . . . 0.0 111.38 176.089 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 110.844 -0.058 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -133.63 166.63 22.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.336 1.455 . . . . 0.0 111.519 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.02 179.56 7.78 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.337 1.455 . . . . 0.0 112.937 -169.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.6 t -140.58 146.36 37.91 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.91 1.284 . . . . 0.0 111.408 174.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.4 t -76.25 -5.02 45.08 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 79.96 0.39 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.73 1.212 . . . . 0.0 111.964 -170.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.74 -0.8 4.21 Favored Glycine 0 CA--C 1.544 1.845 0 C-N-CA 127.006 2.241 . . . . 0.0 115.104 -171.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -131.15 -27.26 2.04 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -45.81 128.83 9.08 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -170.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 55.86 33.69 22.06 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.252 2.221 . . . . 0.0 113.832 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.96 -22.85 64.84 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.429 -1.419 . . . . 0.0 114.379 170.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.7 137.84 7.06 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 127.014 2.245 . . . . 0.0 110.785 -172.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.09 140.21 54.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.801 0.81 . . . . 0.0 111.525 -173.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -160.73 103.16 1.34 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.988 1.715 . . . . 0.0 107.424 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.19 -16.2 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -171.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -68.21 -23.56 64.83 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.52 149.45 48.22 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.094 0.958 . . . . 0.0 112.17 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -59.08 -30.07 67.81 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -127.66 144.67 51.06 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.139 0.975 . . . . 0.0 110.94 169.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -96.29 65.58 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 167.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.91 33.48 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.631 2.373 . . . . 0.0 111.563 171.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -141.19 174.87 10.12 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 -167.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.74 -8.99 12.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.961 2.505 . . . . 0.0 116.582 -169.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -120.09 4.57 10.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.581 1.552 . . . . 0.0 113.258 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 p -58.58 -36.95 74.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -169.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.7 t -64.75 -39.66 93.99 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.867 0.867 . . . . 0.0 111.813 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.76 -13.4 23.1 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.868 1.667 . . . . 0.0 114.175 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.82 -0.35 13.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.463 1.505 . . . . 0.0 113.959 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 46.29 35.07 2.48 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.565 1.546 . . . . 0.0 113.227 -172.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 m -124.55 18.65 8.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.394 1.478 . . . . 0.0 114.035 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -58.44 160.21 5.56 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.757 1.223 . . . . 0.0 113.918 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -57.96 161.14 4.17 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.404 1.082 . . . . 0.0 111.507 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.8 p -55.61 -25.11 36.88 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -172.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.13 40.77 1.37 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.684 1.194 . . . . 0.0 112.213 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.445 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 65.3 t80 -39.83 -54.1 2.17 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.095 1.758 . . . . 0.0 114.81 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -13.84 61.05 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.37 -21.68 6.79 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -120.1 -20.27 7.48 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 1.9 m -120.94 -13.92 8.54 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -42.58 110.61 0.87 Allowed Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 127.254 2.222 . . . . 0.0 113.958 -169.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.14 -176.62 0.07 OUTLIER 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 125.042 3.828 . . . . 0.0 115.426 170.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -41.52 130.65 3.07 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.3 1.84 . . . . 0.0 114.824 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.27 151.8 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.694 1.598 . . . . 0.0 110.324 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 m -48.01 136.26 11.67 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.717 2.007 . . . . 0.0 113.512 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -149.57 171.29 16.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.262 1.425 . . . . 0.0 111.739 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.96 14.08 21.99 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.388 1.47 . . . . 0.0 114.955 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -144.58 154.41 42.82 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.792 2.037 . . . . 0.0 109.896 178.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.14 161.74 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.298 1.039 . . . . 0.0 112.245 -169.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.09 -171.9 1.94 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.952 1.701 . . . . 0.0 111.865 -177.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 p -67.82 -13.79 62.42 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.284 1.434 . . . . 0.0 114.845 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.529 1.932 . . . . 0.0 113.262 176.675 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -150.13 148.91 29.54 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.344 1.457 . . . . 0.0 110.449 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.58 133.18 47.31 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.571 -0.705 . . . . 0.0 111.925 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.7 t -147.95 152.73 38.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.854 1.662 . . . . 0.0 109.324 169.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 4.2 t -86.9 18.38 3.55 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -169.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -69.69 97.33 1.05 Allowed 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.358 -1.464 . . . . 0.0 111.201 -169.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.99 48.11 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.544 1.545 . . . . 0.0 114.666 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -129.37 -20.04 3.38 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -53.91 15.48 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.929 3.677 . . . . 0.0 120.929 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.6 p -142.28 15.6 2.04 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.763 2.825 . . . . 0.0 111.681 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.07 -15.56 45.9 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.22 143.34 13.62 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.449 1.5 . . . . 0.0 113.925 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -72.79 134.62 45.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.473 1.509 . . . . 0.0 114.221 -172.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -158.48 99.17 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.791 2.036 . . . . 0.0 106.723 169.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.56 -12.88 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -169.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.08 -18.07 60.87 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.22 152.6 44.87 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 121.032 -1.043 . . . . 0.0 112.39 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -63.95 -23.71 67.45 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.764 1.625 . . . . 0.0 113.993 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 p -137.81 158.45 44.32 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.27 1.828 . . . . 0.0 108.307 168.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -111.36 65.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m -72.95 50.06 0.25 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.185 2.194 . . . . 0.0 110.388 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -149.27 166.64 28.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.309 1.444 . . . . 0.0 112.633 -169.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.91 -23.36 53.04 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.4 mt -99.08 0.42 43.6 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 5.1 p -58.72 -21.26 54.58 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -168.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -76.28 -26.2 55.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -69.56 -28.79 66.3 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.865 -1.147 . . . . 0.0 113.372 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 5.9 p90 -120.8 14.07 11.61 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.653 1.581 . . . . 0.0 114.015 175.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 45.96 45.0 11.9 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.521 2.328 . . . . 0.0 116.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.9 m -131.76 25.47 4.69 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -173.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -54.52 164.13 0.78 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.513 1.525 . . . . 0.0 115.02 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.06 151.14 7.22 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.606 0.762 . . . . 0.0 111.392 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 p -59.16 -15.07 12.56 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -131.2 20.09 4.87 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.448 1.499 . . . . 0.0 113.021 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -38.48 -52.42 1.58 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -68.42 -6.51 25.05 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -32.06 4.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.773 1.629 . . . . 0.0 113.731 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -120.69 -18.63 7.66 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 2.8 m -120.49 -10.54 9.25 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.131 1.332 . . . . 0.0 114.25 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -47.9 111.16 1.61 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.254 1.821 . . . . 0.0 112.603 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.24 -178.94 4.57 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 124.184 3.256 . . . . 0.0 111.995 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -71.41 68.22 0.53 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.629 1.572 . . . . 0.0 112.713 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.14 39.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 127.423 2.289 . . . . 0.0 114.268 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -71.8 -170.5 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.129 1.772 . . . . 0.0 112.487 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -47.7 -32.46 5.79 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.46 1.904 . . . . 0.0 114.67 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.33 13.12 77.35 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.24 0.924 . . . . 0.0 114.755 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -77.98 4.16 12.87 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.882 1.273 . . . . 0.0 113.905 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.6 m -142.88 164.97 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 128.546 2.738 . . . . 0.0 110.366 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -130.16 -21.8 2.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -175.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 p -70.16 150.35 46.59 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.203 1.001 . . . . 0.0 112.271 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.5 ttp . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.214 1.805 . . . . 0.0 111.362 -178.1 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 pt20 -69.79 166.52 19.15 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.583 0.753 . . . . 0.0 112.524 169.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -144.23 154.99 43.68 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.703 1.201 . . . . 0.0 112.113 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.2 m -122.98 152.28 41.03 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.517 1.927 . . . . 0.0 110.102 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.38 -5.38 58.89 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 -169.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.86 89.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.198 0.999 . . . . 0.0 112.015 -170.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.91 4.95 12.29 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.998 2.237 . . . . 0.0 115.372 -172.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -133.21 -24.95 1.81 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.25 126.41 18.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.087 1.312 . . . . 0.0 113.556 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 62.99 30.3 16.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.472 1.909 . . . . 0.0 113.424 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -60.29 -20.82 60.67 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.55 152.32 14.29 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.506 1.527 . . . . 0.0 113.006 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -75.72 142.2 42.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.609 1.195 . . . . 0.0 113.988 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -155.95 119.35 4.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 128.093 2.557 . . . . 0.0 104.4 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.23 -10.34 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.8 -32.25 21.88 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -73.82 147.0 43.77 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.987 0.812 . . . . 0.0 113.176 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -69.57 -31.87 70.31 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.383 1.473 . . . . 0.0 114.715 -170.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 t -107.1 110.73 22.91 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.933 0.893 . . . . 0.0 109.62 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -87.31 70.49 10.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.396 1.569 . . . . 0.0 107.325 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 36.66 0.07 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.809 2.044 . . . . 0.0 111.146 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.0 178.16 8.41 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.529 1.931 . . . . 0.0 114.4 -167.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -63.02 -20.84 65.7 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.72 1.69 23.21 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.615 1.098 . . . . 0.0 113.509 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 -33.27 74.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -64.39 -35.08 79.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.075 0.95 . . . . 0.0 112.531 -176.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -63.52 -15.74 58.78 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.361 1.865 . . . . 0.0 113.653 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.63 -9.59 10.21 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.36 1.464 . . . . 0.0 114.344 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 54.59 33.99 20.35 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.158 1.783 . . . . 0.0 113.504 -172.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.1 m -116.8 19.6 14.37 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.605 1.562 . . . . 0.0 113.231 -173.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 m -60.66 162.67 6.29 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.444 1.498 . . . . 0.0 113.516 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 147.26 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.463 1.105 . . . . 0.0 113.033 168.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -61.61 -11.34 11.0 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -136.99 27.54 2.93 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.19 1.396 . . . . 0.0 112.487 171.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -38.54 -49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.679 1.992 . . . . 0.0 114.943 -174.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -10.88 41.06 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -173.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.72 -34.61 3.54 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 113.45 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -88.35 -36.42 16.62 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.1 -12.76 9.05 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -169.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -40.93 106.87 0.44 Allowed Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 127.641 2.376 . . . . 0.0 113.488 -173.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -52.26 148.86 23.94 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 124.44 3.427 . . . . 0.0 113.438 174.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -66.53 142.73 57.41 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.912 -0.492 . . . . 0.0 111.455 171.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.59 29.79 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 125.387 1.475 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.0 t -148.42 31.6 0.82 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.004 1.321 . . . . 0.0 113.292 -172.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -121.82 158.62 28.5 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.533 1.533 . . . . 0.0 112.097 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.5 -21.8 42.8 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.151 0.881 . . . . 0.0 114.394 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -155.39 161.79 40.94 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.88 1.272 . . . . 0.0 111.844 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.07 32.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.968 1.707 . . . . 0.0 113.519 174.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -150.03 -28.8 0.24 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.01 1.724 . . . . 0.0 113.232 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -79.73 27.28 0.29 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.353 1.461 . . . . 0.0 113.482 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.8 ttp . . . . . 0 C--O 1.252 1.236 0 C-N-CA 129.087 2.955 . . . . 0.0 115.349 -177.403 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 111.338 0.125 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -140.41 157.97 44.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.22 1.408 . . . . 0.0 111.738 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -151.08 82.96 1.32 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.457 1.503 . . . . 0.0 109.726 -173.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.6 p -139.43 172.93 12.1 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.386 1.074 . . . . 0.0 113.028 -174.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.4 t -73.16 -8.34 55.34 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 -169.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -69.44 95.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.869 -1.144 . . . . 0.0 112.305 -169.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.29 0.18 14.3 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 127.084 2.278 . . . . 0.0 115.249 -173.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -133.52 -22.31 1.94 Allowed 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.96 129.09 19.96 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 57.66 23.83 9.86 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.435 2.294 . . . . 0.0 114.213 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.22 -24.36 67.84 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 119.849 -1.782 . . . . 0.0 114.863 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 161.15 12.49 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.79 1.662 . . . . 0.0 111.926 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.0 125.12 25.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.454 -1.027 . . . . 0.0 113.113 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -148.3 79.93 1.45 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.192 1.797 . . . . 0.0 110.338 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.56 -15.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.12 -6.43 51.17 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.97 2.108 . . . . 0.0 114.941 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -110.84 171.07 7.68 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.66 1.184 . . . . 0.0 113.199 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.94 -10.58 59.54 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.1 1.36 . . . . 0.0 114.491 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 p -139.92 149.64 43.58 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.221 1.408 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -106.53 63.53 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 169.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.7 m -68.56 43.87 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.234 2.214 . . . . 0.0 111.529 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -145.12 177.89 8.46 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -168.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.31 -18.23 57.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.599 2.36 . . . . 0.0 116.155 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -113.94 -4.5 13.25 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.693 1.197 . . . . 0.0 113.875 -169.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 p -60.11 -29.67 68.76 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -66.88 -8.52 29.7 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.53 1.532 . . . . 0.0 114.306 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -96.64 -41.66 8.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.505 1.522 . . . . 0.0 111.42 170.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -74.27 -23.59 59.14 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 65.68 1.34 1.73 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.463 2.305 . . . . 0.0 115.173 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -79.35 -0.6 33.31 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.97 1.708 . . . . 0.0 114.816 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -51.18 162.75 0.28 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 118.275 2.695 . . . . 0.0 118.275 -169.294 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.5 140.1 23.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.884 0.874 . . . . 0.0 111.256 169.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.7 p -63.21 -12.56 29.35 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -136.87 28.29 2.92 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 111.726 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 38.0 t80 -37.44 -50.04 1.06 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.95 2.1 . . . . 0.0 115.228 -173.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.53 -10.63 46.97 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.79 -39.2 2.75 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.405 1.082 . . . . 0.0 113.473 170.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.94 -34.92 32.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -118.87 -21.39 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -168.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -22.05 89.49 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.152 0 C-N-CA 128.767 2.827 . . . . 0.0 116.217 -169.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -84.28 -163.84 0.22 Allowed 'Trans proline' 0 CA--C 1.542 0.875 1 C-N-CA 125.383 4.055 . . . . 0.0 109.541 169.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -55.39 127.11 27.97 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.359 -0.838 . . . . 0.0 108.862 168.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG22 ' H ' ' A' ' 44' ' ' THR . 8.6 p -140.48 172.53 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.943 1.297 . . . . 0.0 111.791 -169.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.417 ' H ' HG22 ' A' ' 43' ' ' VAL . 5.2 p -54.9 137.98 44.21 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.277 1.431 . . . . 0.0 114.434 -176.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -91.67 -30.18 16.46 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.941 1.696 . . . . 0.0 112.685 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.11 -39.37 0.31 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.07 1.319 . . . . 0.0 113.579 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -140.42 4.73 2.0 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.079 1.352 . . . . 0.0 113.687 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -150.12 167.57 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 128.802 2.841 . . . . 0.0 109.552 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -136.58 -12.82 1.77 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.0 p -70.29 157.36 37.85 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.536 1.135 . . . . 0.0 112.793 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.899 1.679 . . . . 0.0 111.353 179.07 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -155.67 -179.72 8.39 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.034 1.733 . . . . 0.0 111.005 173.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -136.89 130.59 31.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.062 1.345 . . . . 0.0 110.182 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m -151.25 153.73 35.45 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.634 1.574 . . . . 0.0 111.696 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 43.5 t -78.0 -11.31 59.89 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -175.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -69.16 98.04 0.97 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.686 1.13 . . . . 0.0 111.815 -168.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.91 -8.27 6.08 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.788 2.137 . . . . 0.0 115.031 -170.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -134.4 -26.04 1.47 Allowed 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -44.49 147.26 0.6 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.6 24.44 8.54 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.235 1.814 . . . . 0.0 113.072 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.76 -12.33 61.49 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.16 131.57 7.06 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.385 1.469 . . . . 0.0 111.617 -169.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 57.3 t80 -70.24 142.77 52.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.086 1.354 . . . . 0.0 113.642 -171.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.08 113.16 3.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.918 1.687 . . . . 0.0 108.502 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 p -73.96 -8.51 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -171.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.35 -21.01 46.39 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -73.38 167.53 21.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.002 1.321 . . . . 0.0 113.43 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.02 -18.25 60.38 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.861 1.264 . . . . 0.0 113.482 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.6 p -141.47 150.13 41.83 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.239 1.816 . . . . 0.0 107.525 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -105.31 58.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 171.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -67.03 41.23 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 127.756 2.423 . . . . 0.0 114.239 -173.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -147.42 164.81 32.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.978 2.111 . . . . 0.0 112.768 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.54 -35.0 27.6 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.298 2.239 . . . . 0.0 116.961 -169.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -76.48 -13.94 60.07 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 p -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -172.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.2 p -68.32 -13.03 61.97 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 114.032 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -93.51 -44.2 8.35 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.447 1.499 . . . . 0.0 111.33 169.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 63.8 m-85 -75.17 -15.91 60.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 61.41 18.68 9.55 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.557 1.943 . . . . 0.0 114.844 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 p -100.31 -4.96 28.15 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.689 1.995 . . . . 0.0 114.85 -170.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.64 166.58 0.9 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 117.967 2.58 . . . . 0.0 117.967 -169.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 p -52.96 148.24 8.06 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.139 0.976 . . . . 0.0 110.672 168.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -54.04 -25.71 22.81 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.991 1.717 . . . . 0.0 115.02 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.28 29.43 3.66 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.236 1.414 . . . . 0.0 112.754 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.421 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 86.4 t80 -32.49 -58.14 0.33 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -7.46 28.69 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -31.56 4.27 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.294 1.438 . . . . 0.0 113.965 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -120.44 -16.62 8.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -169.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 1.8 m -120.77 1.03 10.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.6 123.49 81.41 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 125.533 1.533 . . . . 0.0 111.368 -171.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -45.13 121.24 3.51 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.579 3.519 . . . . 0.0 112.142 169.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -65.65 132.86 49.86 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -169.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.72 97.24 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.36 1.064 . . . . 0.0 108.719 170.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -63.21 162.0 12.71 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -137.5 -12.57 1.57 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.447 1.899 . . . . 0.0 113.664 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.36 13.59 60.65 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 124.57 1.081 . . . . 0.0 115.777 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -143.99 22.61 1.74 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.135 1.374 . . . . 0.0 112.677 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.2 m -138.52 150.67 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.769 1.627 . . . . 0.0 111.778 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -72.76 -24.52 60.96 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.09 0.956 . . . . 0.0 113.496 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.0 p -73.1 -15.79 61.48 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -172.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.335 1.454 . . . . 0.0 111.933 -175.92 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.504 0.192 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -149.81 174.73 12.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.939 1.695 . . . . 0.0 111.833 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -137.87 158.62 43.97 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.258 1.423 . . . . 0.0 111.503 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.5 p -151.78 169.89 21.11 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.287 1.435 . . . . 0.0 111.473 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.1 t -66.96 -9.87 43.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -66.71 101.31 0.79 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.359 0.981 . . . . 0.0 112.723 -168.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.83 28.56 73.46 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.038 1.78 . . . . 0.0 114.921 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -134.97 -36.16 0.83 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.2 m -46.87 138.86 5.94 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m 73.53 20.75 3.04 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.721 2.408 . . . . 0.0 112.738 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -62.55 -26.69 68.7 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.88 155.85 9.33 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.43 1.491 . . . . 0.0 112.94 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.03 132.96 35.4 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -158.68 102.52 1.7 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.535 1.934 . . . . 0.0 108.344 169.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.96 -10.15 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -76.98 -21.47 54.66 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -72.1 173.71 8.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.368 1.067 . . . . 0.0 113.536 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -80.23 -26.73 38.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.847 1.259 . . . . 0.0 112.778 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.58 145.82 51.44 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.432 1.11 . . . . 0.0 109.148 168.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -106.71 64.96 0.66 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -71.21 49.49 0.14 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.299 2.239 . . . . 0.0 110.74 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.36 178.41 7.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.858 1.663 . . . . 0.0 114.928 -168.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.61 -8.42 56.29 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -172.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.1 mt -120.04 -5.54 10.02 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.831 1.252 . . . . 0.0 113.516 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -59.33 -31.55 69.28 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -70.91 -31.27 67.85 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.176 -0.953 . . . . 0.0 112.618 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.6 -20.44 66.32 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.992 1.717 . . . . 0.0 112.966 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -106.57 -2.57 21.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.76 1.624 . . . . 0.0 113.78 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 48.06 36.32 6.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.479 1.912 . . . . 0.0 113.269 -171.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 p -110.31 -1.42 17.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.732 1.613 . . . . 0.0 114.977 -169.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.03 158.37 1.48 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 115.781 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.6 148.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.91 1.284 . . . . 0.0 112.952 169.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -57.03 -23.9 49.82 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.687 1.595 . . . . 0.0 114.61 -173.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -127.2 28.17 5.78 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.201 1.8 . . . . 0.0 111.501 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -44.48 -51.31 8.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.622 1.569 . . . . 0.0 114.17 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 p -67.07 -15.27 63.61 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.59 -23.36 11.86 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.995 1.318 . . . . 0.0 113.458 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.53 -51.41 2.17 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -89.22 -23.3 22.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -169.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -35.64 98.91 0.16 Allowed Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 128.802 2.841 . . . . 0.0 115.629 -169.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -79.29 -168.62 0.65 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 124.629 3.553 . . . . 0.0 109.805 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.96 136.24 58.03 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.883 -1.135 . . . . 0.0 110.291 169.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.5 m -131.39 39.19 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 125.713 1.605 . . . . 0.0 111.768 -173.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 p -132.4 159.11 40.23 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.162 1.785 . . . . 0.0 111.376 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.19 177.27 11.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.63 1.572 . . . . 0.0 112.443 -175.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.44 -81.53 0.03 OUTLIER Glycine 0 N--CA 1.469 0.853 0 C-N-CA 124.85 1.214 . . . . 0.0 110.789 171.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -137.99 16.4 2.84 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.068 1.347 . . . . 0.0 112.56 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.7 p -154.45 151.74 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 126.786 2.034 . . . . 0.0 110.16 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -133.16 -6.51 3.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.7 p -70.45 -24.85 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.284 1.034 . . . . 0.0 113.492 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 C--O 1.253 1.258 0 C-N-CA 128.698 2.799 . . . . 0.0 114.623 175.116 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -137.49 171.26 14.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.532 1.533 . . . . 0.0 110.926 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -147.61 158.91 44.21 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.435 1.094 . . . . 0.0 111.449 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.1 t -72.79 169.07 17.51 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.559 1.144 . . . . 0.0 113.302 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.6 t -120.79 16.6 11.86 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -169.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -69.08 93.98 0.63 Allowed 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.79 -1.194 . . . . 0.0 111.558 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.08 16.66 34.67 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.93 1.729 . . . . 0.0 115.365 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -127.66 -23.78 3.38 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.88 1.84 . . . . 0.0 115.844 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 m -52.14 142.65 15.9 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 66.69 25.43 9.81 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.904 2.081 . . . . 0.0 113.385 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.06 -15.97 63.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.32 170.48 19.03 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.609 1.576 . . . . 0.0 112.176 -169.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -100.39 134.3 43.54 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.461 -1.023 . . . . 0.0 112.181 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -157.31 92.26 1.23 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.875 1.67 . . . . 0.0 108.493 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -56.29 -14.87 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.68 -25.45 63.89 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -69.86 153.63 43.04 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.66 -19.08 63.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.561 1.944 . . . . 0.0 114.104 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.8 p -140.59 148.03 40.33 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.211 1.404 . . . . 0.0 109.232 168.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.84 69.5 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 167.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.5 m -70.31 42.07 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.121 1.769 . . . . 0.0 111.821 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -152.01 172.99 15.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.239 1.816 . . . . 0.0 113.607 -169.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.05 -33.48 67.27 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.941 2.096 . . . . 0.0 115.908 -169.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.27 -4.96 59.27 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 p -60.98 -30.16 70.11 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -173.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -68.94 -5.2 19.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.813 1.245 . . . . 0.0 113.785 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -100.56 -9.31 22.13 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.6 1.96 . . . . 0.0 112.446 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -120.08 -11.2 9.29 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.835 1.654 . . . . 0.0 114.675 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 57.43 31.52 20.35 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.288 1.835 . . . . 0.0 113.926 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 p -120.69 20.94 11.65 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.881 2.072 . . . . 0.0 112.976 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.8 m -57.24 175.3 0.15 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.362 2.265 . . . . 0.0 114.548 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 m -50.47 162.26 0.25 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.086 0.954 . . . . 0.0 113.172 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -56.46 -27.74 57.74 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -143.47 41.12 1.46 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.166 1.386 . . . . 0.0 112.349 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -43.55 -48.92 7.56 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.303 1.841 . . . . 0.0 115.184 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 p -66.21 -14.13 61.42 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -10.24 9.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -120.1 -31.22 4.48 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.79 -21.91 6.46 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -169.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -37.47 99.45 0.18 Allowed Pre-proline 0 N--CA 1.478 0.925 0 C-N-CA 127.696 2.399 . . . . 0.0 113.074 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.77 150.03 38.74 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.414 2.743 . . . . 0.0 112.737 -169.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 23.43 49.25 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 128.767 2.827 . . . . 0.0 116.539 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -56.69 132.16 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.334 1.054 . . . . 0.0 111.859 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.1 t -159.11 175.33 13.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.834 1.254 . . . . 0.0 111.868 -171.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 -63.41 157.18 23.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.478 1.511 . . . . 0.0 113.769 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.83 37.58 1.69 Allowed Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.743 1.64 . . . . 0.0 115.008 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -142.62 9.08 1.77 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.421 1.889 . . . . 0.0 112.639 -171.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.8 m -142.81 -179.04 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 127.549 2.34 . . . . 0.0 110.376 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -137.38 164.08 29.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.678 1.191 . . . . 0.0 112.224 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.8 p -74.49 -4.6 37.76 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.292 1.837 . . . . 0.0 115.509 -172.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 ptm . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.283 1.833 . . . . 0.0 114.647 175.435 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.477 0.18 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -150.93 157.51 42.99 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.42 1.488 . . . . 0.0 110.976 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -125.56 147.18 49.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.313 1.445 . . . . 0.0 110.293 170.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.4 p -158.47 -179.58 8.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.421 1.488 . . . . 0.0 111.601 -171.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 7.7 t -66.66 -1.09 3.36 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 176.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.24 98.46 1.04 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.225 -1.547 . . . . 0.0 111.633 -169.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.85 11.82 31.57 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 126.084 1.802 . . . . 0.0 114.93 -171.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -131.47 -26.59 2.04 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 m -49.66 4.77 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 121.469 3.877 . . . . 0.0 121.469 -169.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.3 p -142.38 20.61 2.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.426 1.89 . . . . 0.0 112.112 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.91 -15.95 57.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.5 166.2 26.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.507 1.527 . . . . 0.0 113.302 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -107.4 136.12 47.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.401 1.081 . . . . 0.0 111.456 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -162.5 100.13 1.04 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.714 2.006 . . . . 0.0 105.87 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -11.85 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -169.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -74.82 -17.83 60.55 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.47 156.34 39.02 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.574 1.079 . . . . 0.0 112.716 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.97 -25.21 68.26 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.797 1.639 . . . . 0.0 113.603 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -141.6 158.42 43.86 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.837 1.255 . . . . 0.0 109.553 168.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -111.3 55.33 0.66 Allowed 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.769 1.227 . . . . 0.0 107.935 169.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.3 m -69.09 53.07 0.09 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.505 1.922 . . . . 0.0 111.552 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -154.63 169.14 24.57 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.426 2.291 . . . . 0.0 112.015 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.46 -10.61 0.26 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -117.46 -2.93 11.43 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.228 1.376 . . . . 0.0 114.597 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.4 p -69.19 -27.1 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -170.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -62.1 -29.11 70.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.379 0.991 . . . . 0.0 112.767 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -71.49 -16.7 62.36 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.05 2.14 . . . . 0.0 113.967 172.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -116.09 -15.11 11.15 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 54.29 29.66 11.14 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.136 1.774 . . . . 0.0 114.371 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 p -110.24 18.52 19.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.27 2.228 . . . . 0.0 113.057 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 179.61 7.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.693 1.597 . . . . 0.0 114.858 -170.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.97 162.06 4.5 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.932 0.893 . . . . 0.0 110.277 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.7 m -57.13 -28.43 62.71 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -172.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -139.61 33.16 2.03 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.38 1.072 . . . . 0.0 113.595 -170.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -36.05 -55.31 0.77 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -175.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.8 p -65.4 -9.04 21.76 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.25 -32.19 4.2 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.373 1.469 . . . . 0.0 113.708 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.56 -20.34 7.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.49 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 2.0 m -122.44 -0.13 9.33 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -65.65 126.32 91.4 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.121 0.968 . . . . 0.0 112.731 -170.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -54.22 160.32 6.65 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 124.065 3.177 . . . . 0.0 111.468 168.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -77.85 49.83 0.81 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.77 12.89 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.532 1.933 . . . . 0.0 112.972 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -150.43 41.19 0.79 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.511 2.725 . . . . 0.0 108.882 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.37 148.55 51.85 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.49 1.916 . . . . 0.0 111.05 -169.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.14 -24.72 0.05 OUTLIER Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.766 1.174 . . . . 0.0 114.345 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -138.98 52.76 1.77 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.631 1.573 . . . . 0.0 110.901 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.8 t -135.08 148.29 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.545 1.938 . . . . 0.0 109.147 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -73.45 -8.86 57.65 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -174.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -63.37 165.06 8.13 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.897 1.279 . . . . 0.0 113.525 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 C--O 1.253 1.28 0 C-N-CA 126.014 1.725 . . . . 0.0 111.229 178.666 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 110.756 -0.09 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -146.94 142.7 27.84 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.292 1.437 . . . . 0.0 110.202 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -149.93 126.43 10.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.877 0.846 . . . . 0.0 111.8 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.5 p -138.45 -178.54 5.34 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.736 2.014 . . . . 0.0 111.901 -169.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t -53.01 -16.94 1.21 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.333 2.653 . . . . 0.0 116.676 -169.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -69.03 97.93 0.92 Allowed 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.081 -1.012 . . . . 0.0 111.731 -168.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 32.7 76.94 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.986 1.279 . . . . 0.0 113.682 -169.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -34.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.37 153.34 43.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.18 29.15 3.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 128.456 2.702 . . . . 0.0 113.808 -175.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -20.89 60.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -173.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.41 144.93 15.07 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.592 1.568 . . . . 0.0 113.106 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -69.64 139.71 53.6 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 125.009 1.323 . . . . 0.0 114.045 -168.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -166.65 101.6 0.58 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.336 2.254 . . . . 0.0 107.009 168.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.73 -10.64 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.27 -20.66 60.78 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.54 1.136 . . . . 0.0 113.785 169.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -69.57 149.0 48.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.437 1.095 . . . . 0.0 111.635 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.13 -13.49 62.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.081 1.352 . . . . 0.0 113.516 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 p -142.23 144.05 33.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.9 1.68 . . . . 0.0 109.235 168.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -94.06 68.2 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.54 47.91 0.18 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.131 1.773 . . . . 0.0 110.45 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -154.31 179.87 8.58 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.874 1.67 . . . . 0.0 114.389 -169.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.53 -15.4 60.85 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -172.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.0 mt -111.53 1.82 17.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.993 1.269 . . . . 0.0 113.954 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 p -57.66 -36.76 72.32 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -68.57 -6.92 28.25 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.22 -13.91 27.74 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.455 1.902 . . . . 0.0 112.454 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.39 -15.98 8.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 65.62 3.66 2.52 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.572 2.349 . . . . 0.0 115.271 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 p -83.21 21.54 1.1 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.068 2.547 . . . . 0.0 113.958 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -58.52 160.34 5.52 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.901 1.68 . . . . 0.0 115.012 -176.25 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.05 155.13 8.7 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 122.976 0.51 . . . . 0.0 111.683 170.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 p -68.16 -14.05 62.68 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -170.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -137.27 15.73 3.0 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 -170.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 54.7 t80 -36.59 -62.8 0.44 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.726 2.41 . . . . 0.0 116.051 -169.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -2.73 16.12 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -172.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.65 -22.59 6.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.568 1.547 . . . . 0.0 113.32 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -120.62 -62.96 1.4 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.98 1.312 . . . . 0.0 114.052 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.53 -6.01 59.08 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -39.17 108.95 0.5 Allowed Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 127.979 2.511 . . . . 0.0 112.676 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -45.66 149.1 2.05 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.64 3.56 . . . . 0.0 114.731 171.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.05 142.6 56.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.63 1.172 . . . . 0.0 111.757 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.27 47.93 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.406 1.483 . . . . 0.0 112.378 -172.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 m -57.14 157.61 5.93 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.092 1.357 . . . . 0.0 112.077 169.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 -50.78 -24.8 3.73 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.277 2.231 . . . . 0.0 116.568 -174.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.95 21.73 22.44 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.266 0.939 . . . . 0.0 114.645 175.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -112.32 10.96 20.01 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.047 1.739 . . . . 0.0 113.135 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -153.69 142.98 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 127.301 2.241 . . . . 0.0 109.828 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -138.04 7.91 2.71 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.485 1.114 . . . . 0.0 113.79 -171.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 p -77.2 -0.64 25.89 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.643 1.577 . . . . 0.0 114.118 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.5 ttt . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.982 2.113 . . . . 0.0 111.224 -177.627 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.67 0.272 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -141.88 159.88 41.32 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.775 1.63 . . . . 0.0 110.664 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.96 162.54 27.87 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 122.294 1.045 . . . . 0.0 113.43 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.8 p -148.23 177.68 9.21 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.774 2.03 . . . . 0.0 109.126 169.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 9.9 t -70.2 -9.57 56.2 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -69.68 101.06 1.58 Allowed 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.039 -1.038 . . . . 0.0 110.697 -175.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.32 8.1 36.29 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.851 1.691 . . . . 0.0 114.988 -170.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -133.06 -38.18 0.97 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.633 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.9 m -38.7 142.96 0.17 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.325 42.3 p 70.94 38.2 1.18 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.854 2.462 . . . . 0.0 112.2 -169.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.86 -25.27 60.5 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.282 1.433 . . . . 0.0 114.429 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.7 155.44 10.16 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.407 1.003 . . . . 0.0 111.006 -168.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CE1' ' HB ' ' A' ' 15' ' ' VAL . 17.1 t80 -69.94 125.65 27.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.659 -0.907 . . . . 0.0 112.626 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -154.34 81.06 1.12 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.221 1.409 . . . . 0.0 109.23 172.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 2.3 p -56.65 -13.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -169.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.82 -22.67 65.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.919 1.288 . . . . 0.0 114.392 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -95.48 157.91 15.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -169.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.26 -26.07 68.61 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 t -136.0 135.52 39.56 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.569 0.747 . . . . 0.0 111.532 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -95.08 66.83 3.01 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 123.034 1.397 . . . . 0.0 107.256 168.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -81.22 52.3 1.78 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.198 1.799 . . . . 0.0 109.187 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -149.18 175.14 11.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.694 1.598 . . . . 0.0 114.215 -169.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.54 -23.11 65.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.945 2.098 . . . . 0.0 116.636 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -101.05 -1.64 33.68 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 120.275 1.398 . . . . 0.0 113.682 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 4.3 p -58.53 -22.03 54.12 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -73.6 -27.03 61.08 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.57 -29.04 65.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.487 1.115 . . . . 0.0 113.344 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 6.6 p90 -120.8 13.78 11.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.8 1.64 . . . . 0.0 114.126 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 45.74 48.77 11.62 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.678 2.391 . . . . 0.0 116.098 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -130.52 22.57 5.11 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -175.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.7 m -61.46 165.16 5.01 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.899 1.279 . . . . 0.0 114.42 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.68 154.54 0.67 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.761 1.225 . . . . 0.0 112.906 168.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -55.99 -20.44 16.48 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -141.71 36.33 1.62 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.97 1.308 . . . . 0.0 112.013 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 48.8 t80 -33.77 -54.84 0.46 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.086 2.155 . . . . 0.0 115.492 -177.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -11.05 58.61 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -172.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.41 -30.78 4.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.768 1.227 . . . . 0.0 114.117 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -103.72 -21.77 13.65 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 3.3 m -120.87 -28.66 4.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -21.43 91.72 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 129.525 3.13 . . . . 0.0 116.317 -169.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.87 -167.07 0.46 Allowed 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 124.541 3.494 . . . . 0.0 110.312 169.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -52.47 135.02 34.47 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.35 -0.844 . . . . 0.0 110.975 169.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -135.66 36.0 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-O 123.054 1.407 . . . . 0.0 111.547 -170.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.1 p -61.75 163.68 7.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.075 1.75 . . . . 0.0 113.198 173.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -54.27 156.04 3.42 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.621 1.568 . . . . 0.0 114.477 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.1 -2.61 89.06 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.757 1.17 . . . . 0.0 115.189 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.1 3.06 7.58 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 m -141.09 159.42 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 127.469 2.308 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -141.22 19.16 2.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.526 1.13 . . . . 0.0 112.986 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.9 m -62.03 118.09 6.84 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.8 1.24 . . . . 0.0 111.143 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.1 mtp . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.237 1.815 . . . . 0.0 111.374 -177.823 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 t0 . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -138.07 132.17 31.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.282 1.433 . . . . 0.0 110.356 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -158.61 145.39 17.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.125 0.97 . . . . 0.0 111.563 -174.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 t -156.79 -178.67 7.53 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -171.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.8 t -45.49 -27.24 0.69 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 130.107 3.363 . . . . 0.0 118.314 -169.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -68.49 100.0 1.04 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.807 1.64 . . . . 0.0 111.977 -168.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.43 15.7 75.63 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 126.368 1.937 . . . . 0.0 115.212 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -141.4 -28.68 0.65 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -169.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -58.78 141.54 52.71 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 120.826 1.648 . . . . 0.0 115.245 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 59.35 29.89 19.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.467 2.707 . . . . 0.0 113.815 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.73 -14.34 60.33 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.94 129.97 5.89 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.151 1.357 . . . . 0.0 110.141 -168.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 77.0 t80 -69.14 139.74 54.69 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -150.9 112.85 4.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.39 1.876 . . . . 0.0 108.313 169.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -73.46 -6.4 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.44 -17.62 48.15 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.544 1.138 . . . . 0.0 113.999 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.68 169.23 13.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.971 1.308 . . . . 0.0 112.104 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -75.72 -51.83 11.82 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.201 -0.937 . . . . 0.0 110.302 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 p -93.46 157.56 16.15 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 167.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -115.22 69.93 0.73 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 168.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 98.9 m -70.31 38.46 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.31 1.844 . . . . 0.0 112.655 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -149.58 165.0 33.58 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.578 -1.326 . . . . 0.0 113.241 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.55 -35.67 13.84 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.797 2.439 . . . . 0.0 116.699 -169.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -80.29 -11.82 59.68 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.9 p -60.31 -27.9 67.69 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -173.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -74.66 -11.26 60.14 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.395 1.078 . . . . 0.0 113.696 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -90.33 -42.99 10.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 110.126 169.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 49.9 m-85 -75.29 -8.85 57.76 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 177.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 56.08 39.52 30.39 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.853 1.661 . . . . 0.0 112.892 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.5 p -124.23 5.14 8.49 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -52.89 159.35 1.16 Allowed 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 11.3 m -39.9 156.28 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.346 1.859 . . . . 0.0 115.581 173.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 m -54.53 -27.09 35.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.046 1.338 . . . . 0.0 113.775 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.49 24.45 3.18 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.385 1.474 . . . . 0.0 113.387 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -36.25 -54.46 0.81 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.736 2.015 . . . . 0.0 115.825 -170.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 p -70.35 -10.38 58.86 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.21 -14.23 11.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.448 1.499 . . . . 0.0 112.985 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -120.64 -72.01 0.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.542 1.537 . . . . 0.0 112.786 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 m -74.81 -21.81 59.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -168.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -29.87 95.37 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 129.011 2.924 . . . . 0.0 114.149 -172.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.86 44.19 1.4 Allowed 'Trans proline' 0 CA--C 1.548 1.223 1 C-N-CA 125.929 4.419 . . . . 0.0 114.475 -169.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -140.84 35.26 1.77 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.641 1.976 . . . . 0.0 111.131 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.3 t -134.29 138.99 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 127.201 2.2 . . . . 0.0 108.984 -172.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -140.45 28.89 2.0 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.618 1.167 . . . . 0.0 112.877 -174.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -144.74 164.75 30.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.509 2.323 . . . . 0.0 111.082 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.63 14.3 59.17 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.306 1.431 . . . . 0.0 112.585 169.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -154.37 141.49 19.4 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.993 2.117 . . . . 0.0 110.631 -172.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.8 t -55.98 143.23 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.015 1.726 . . . . 0.0 112.842 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -144.02 178.9 7.54 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.892 1.677 . . . . 0.0 111.625 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.0 p -58.11 147.89 28.39 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.765 1.226 . . . . 0.0 113.851 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 C--O 1.251 1.151 0 C-N-CA 126.275 1.83 . . . . 0.0 112.794 -174.256 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 110.548 -0.168 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -69.85 143.39 52.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.501 0.72 . . . . 0.0 111.918 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -156.12 157.43 35.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.432 1.493 . . . . 0.0 110.831 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.6 p -152.16 -179.74 7.78 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.776 1.63 . . . . 0.0 111.729 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.44 -6.85 38.76 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 171.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 130.93 46.51 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.294 -1.504 . . . . 0.0 111.768 -168.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.54 -1.22 88.37 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 125.835 1.684 . . . . 0.0 115.681 -173.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.28 -22.37 1.76 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.2 m -45.48 143.75 1.76 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 59.51 31.05 20.74 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.32 2.248 . . . . 0.0 113.381 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.95 -20.62 65.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 161.97 22.56 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.258 1.409 . . . . 0.0 113.367 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -70.24 135.3 48.87 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.891 1.276 . . . . 0.0 113.818 -175.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -161.16 90.66 0.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.753 1.621 . . . . 0.0 109.801 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -62.82 -9.41 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.35 -26.48 64.7 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.945 -1.097 . . . . 0.0 113.158 169.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -76.0 149.18 37.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.33 1.052 . . . . 0.0 113.114 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.69 -15.84 63.18 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.981 1.713 . . . . 0.0 114.551 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 t -137.32 130.66 31.07 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.805 1.242 . . . . 0.0 111.072 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -87.5 73.74 9.44 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 m -81.1 47.04 0.97 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.07 1.348 . . . . 0.0 109.67 -174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -151.77 177.47 10.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.811 2.044 . . . . 0.0 114.303 -168.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.58 -20.75 63.66 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -171.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.1 mt -106.71 4.3 27.61 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.927 1.24 . . . . 0.0 113.485 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -61.11 -34.73 75.42 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -169.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.0 p -73.56 -28.87 62.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.727 0.811 . . . . 0.0 112.542 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -64.43 -17.31 63.68 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.022 1.729 . . . . 0.0 112.736 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -112.84 0.88 15.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.932 1.693 . . . . 0.0 113.79 172.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 47.35 35.52 4.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.0 1.72 . . . . 0.0 113.451 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -125.1 19.38 8.34 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.286 1.434 . . . . 0.0 113.741 -169.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.1 m -61.24 159.21 12.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.091 1.356 . . . . 0.0 113.82 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.61 151.26 2.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.916 0.887 . . . . 0.0 111.04 168.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.9 p -56.86 -17.44 9.41 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -135.58 28.95 3.28 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.475 1.91 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.472 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 62.3 t80 -42.49 -52.7 4.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.938 1.295 . . . . 0.0 114.207 -172.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 p -66.22 -9.7 34.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.29 -27.24 5.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.314 1.446 . . . . 0.0 113.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.21 -21.09 7.11 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -173.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 1.4 m -120.85 -15.63 8.3 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -175.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -52.6 122.01 24.45 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.642 1.977 . . . . 0.0 112.64 -171.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.81 165.67 0.17 Allowed 'Trans proline' 0 CA--C 1.542 0.906 1 C-N-CA 125.363 4.042 . . . . 0.0 114.616 169.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.06 87.45 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.212 1.405 . . . . 0.0 113.05 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -139.63 112.19 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.616 1.966 . . . . 0.0 108.555 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.5 p -144.46 161.14 39.8 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.057 1.343 . . . . 0.0 111.926 -172.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -70.99 -35.85 72.25 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.927 0.891 . . . . 0.0 113.027 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.97 -14.85 1.94 Allowed Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.166 1.365 . . . . 0.0 114.841 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.45 28.59 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 128.112 2.565 . . . . 0.0 115.788 -173.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.8 t -126.09 90.9 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.982 1.713 . . . . 0.0 109.526 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -63.04 -16.35 59.57 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -172.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.9 p -85.17 -6.41 59.29 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.54 1.536 . . . . 0.0 114.517 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.5 mtm . . . . . 0 C--O 1.252 1.207 0 C-N-CA 124.638 1.175 . . . . 0.0 113.231 174.346 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -142.6 159.81 41.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.502 1.521 . . . . 0.0 111.303 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -140.94 166.58 24.38 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.348 1.459 . . . . 0.0 112.019 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.9 p -152.48 -179.37 7.51 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.621 1.568 . . . . 0.0 112.029 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 t -49.89 -30.56 10.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.954 1.302 . . . . 0.0 114.269 169.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -69.59 117.93 11.82 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.209 -0.932 . . . . 0.0 110.812 -169.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.01 10.16 85.22 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.705 1.145 . . . . 0.0 115.027 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -134.73 -30.31 1.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.34 125.54 9.71 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.426 1.012 . . . . 0.0 113.177 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m 64.07 28.76 14.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.403 1.881 . . . . 0.0 113.282 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.03 -15.04 61.89 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.47 7.53 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.832 1.682 . . . . 0.0 112.424 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.65 135.92 50.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.277 1.031 . . . . 0.0 112.301 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -162.24 101.95 1.1 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.766 2.027 . . . . 0.0 106.444 169.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.272 6.2 p -60.99 -8.23 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.32 -23.5 61.17 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.868 1.267 . . . . 0.0 113.79 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -69.48 146.57 51.82 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.852 1.261 . . . . 0.0 112.109 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -63.04 -27.09 69.17 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.3 t -129.51 133.65 47.36 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.45 1.1 . . . . 0.0 109.964 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -91.37 65.91 5.42 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 168.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.3 m -77.68 43.47 0.41 Allowed 'General case' 0 CA--C 1.554 1.11 0 O-C-N 120.624 -1.298 . . . . 0.0 110.188 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -142.14 164.54 29.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.995 1.718 . . . . 0.0 114.004 -169.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.39 -12.56 1.72 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.534 2.733 . . . . 0.0 117.465 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.09 -2.63 16.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.519 1.528 . . . . 0.0 113.766 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.32 -30.4 70.79 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -170.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.5 p -69.43 -26.61 64.69 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.534 -0.728 . . . . 0.0 112.388 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.89 -19.33 65.0 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.226 1.811 . . . . 0.0 112.77 169.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -108.1 -6.39 16.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.028 1.731 . . . . 0.0 114.034 173.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 51.45 37.17 18.58 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.539 1.936 . . . . 0.0 114.068 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 p -127.16 17.47 7.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.514 1.526 . . . . 0.0 114.241 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 m -61.23 170.53 1.67 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.994 1.718 . . . . 0.0 114.418 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -47.11 152.3 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.004 0.922 . . . . 0.0 112.822 169.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -50.75 -27.33 6.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.099 1.76 . . . . 0.0 114.628 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.94 18.93 5.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.431 1.492 . . . . 0.0 113.18 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -31.81 -58.85 0.28 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.0 2.12 . . . . 0.0 115.172 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -9.34 32.12 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -171.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -27.71 5.17 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.104 1.361 . . . . 0.0 113.823 173.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -120.25 -18.77 7.91 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -120.35 -9.5 9.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 176.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -46.78 108.51 0.87 Allowed Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 127.689 2.395 . . . . 0.0 114.776 -169.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -81.73 -174.99 2.37 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 124.98 3.787 . . . . 0.0 110.877 169.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 26.08 66.54 0.06 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.94 2.496 . . . . 0.0 115.247 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 p -46.95 133.31 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.207 1.403 . . . . 0.0 114.085 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.0 p -76.98 64.06 2.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.675 1.99 . . . . 0.0 112.377 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -50.48 -39.03 47.11 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.5 1.92 . . . . 0.0 114.454 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 137.99 -29.79 2.61 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.711 1.624 . . . . 0.0 113.03 -176.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -131.65 13.61 4.92 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.113 1.765 . . . . 0.0 112.267 175.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.0 t -140.45 133.86 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 127.811 2.445 . . . . 0.0 107.437 173.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -157.28 -28.92 0.09 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.342 1.057 . . . . 0.0 113.811 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.4 m -142.14 132.97 25.69 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.358 1.463 . . . . 0.0 110.291 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.4 mtm . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.557 2.343 . . . . 0.0 111.186 -178.39 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 CA--C 1.545 0.768 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -69.36 104.04 2.16 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.226 -1.546 . . . . 0.0 111.013 -170.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.07 6.16 45.91 Favored Glycine 0 CA--C 1.543 1.804 0 C-N-CA 126.08 1.8 . . . . 0.0 115.093 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -132.38 -21.39 2.3 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -170.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.5 120.48 6.71 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 m 52.12 42.89 30.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.646 1.978 . . . . 0.0 113.312 -172.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -63.29 -21.49 66.28 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.29 153.15 25.95 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.559 1.552 . . . . 0.0 113.114 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -69.8 133.31 47.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.449 1.1 . . . . 0.0 113.844 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -160.53 89.41 0.82 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.125 1.77 . . . . 0.0 108.568 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 p -57.74 -13.57 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 -169.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.17 -27.44 66.42 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.064 -1.023 . . . . 0.0 113.6 170.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -72.26 148.31 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.344 1.057 . . . . 0.0 113.221 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -64.23 -23.14 67.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.412 1.485 . . . . 0.0 114.754 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -130.53 125.65 34.8 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 111.337 169.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -85.97 69.77 10.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 167.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -75.84 48.15 0.46 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.724 1.61 . . . . 0.0 109.885 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -152.45 -179.89 7.97 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.544 1.938 . . . . 0.0 115.116 -168.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -61.47 -19.75 62.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.698 2.399 . . . . 0.0 116.87 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.2 mt -109.6 1.33 19.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.913 1.233 . . . . 0.0 113.806 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.8 p -63.17 -30.62 71.73 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -172.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 p -64.05 -33.84 76.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.248 0.931 . . . . 0.0 112.828 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -67.12 -15.18 63.56 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.701 2.0 . . . . 0.0 113.535 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -120.17 -9.28 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 52.06 39.79 27.17 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.787 1.635 . . . . 0.0 113.695 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 p -129.1 21.5 5.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.755 2.022 . . . . 0.0 112.995 -171.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -76.41 166.99 22.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.15 1.78 . . . . 0.0 114.594 -175.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.02 148.78 7.37 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.797 0.839 . . . . 0.0 111.547 168.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 p -58.01 -19.01 27.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -143.43 38.65 1.39 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.092 1.357 . . . . 0.0 112.185 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.409 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 42.6 t80 -38.8 -52.11 1.72 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.918 1.687 . . . . 0.0 114.42 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -11.29 57.42 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.56 -12.67 8.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.061 1.345 . . . . 0.0 114.439 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -118.14 -36.53 3.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.17 -6.27 10.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.562 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 126.929 2.092 . . . . 0.0 112.009 178.729 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 117.41 10.66 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 119.799 -1.813 . . . . 0.0 109.704 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.57 79.22 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.816 1.198 . . . . 0.0 115.191 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -129.11 -21.69 3.25 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.5 m -56.94 127.54 32.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.395 0.998 . . . . 0.0 113.256 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m 53.25 38.96 28.96 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.857 2.063 . . . . 0.0 113.957 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.36 -19.24 65.4 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.89 143.48 14.97 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.144 1.354 . . . . 0.0 113.543 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.82 137.61 51.95 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.026 1.331 . . . . 0.0 114.393 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -167.87 98.17 0.46 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.401 2.28 . . . . 0.0 106.523 169.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -59.33 -11.1 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -169.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -75.36 -18.05 60.07 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.76 149.53 47.88 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.093 . . . . 0.0 112.073 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -62.91 -27.5 69.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.1 t -132.23 132.18 42.84 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.334 1.054 . . . . 0.0 110.583 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -87.52 67.98 9.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 168.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.9 m -79.29 53.05 1.42 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.279 1.432 . . . . 0.0 108.92 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -149.82 -179.5 7.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 115.498 -168.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.04 -13.71 62.19 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.299 2.24 . . . . 0.0 116.88 -174.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.45 0.51 11.63 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.114 1.325 . . . . 0.0 113.338 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -63.53 -32.42 73.88 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -71.65 -29.14 64.29 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 112.529 -174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.82 -17.8 64.56 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.391 1.877 . . . . 0.0 113.043 169.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.21 -2.37 14.93 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.933 1.693 . . . . 0.0 113.799 173.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 49.37 38.82 14.86 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.393 1.877 . . . . 0.0 113.703 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 p -127.96 17.7 6.71 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.376 1.471 . . . . 0.0 114.264 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.6 m -61.35 164.33 5.66 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.257 1.423 . . . . 0.0 114.002 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.33 155.71 0.48 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.848 1.259 . . . . 0.0 113.533 168.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 m -51.02 -28.32 9.8 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.858 2.063 . . . . 0.0 115.227 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -139.01 32.11 2.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.117 1.367 . . . . 0.0 112.252 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -34.89 -50.96 0.5 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.156 2.183 . . . . 0.0 115.931 -171.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -11.85 53.79 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.57 -31.51 4.28 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.478 1.111 . . . . 0.0 113.471 170.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.95 -37.17 17.84 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.95 -10.32 9.11 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt . . . . . 0 CA--C 1.551 0.995 0 C-N-CA 126.699 1.999 . . . . 0.0 113.675 -170.561 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -69.71 90.57 0.59 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.59 1.156 . . . . 0.0 112.14 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.05 -2.55 5.15 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 126.784 2.135 . . . . 0.0 114.902 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -134.11 -30.53 1.19 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 m -48.66 145.77 3.47 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -169.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m 67.7 24.01 8.5 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.652 1.581 . . . . 0.0 112.471 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.53 -18.64 64.04 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.617 -1.302 . . . . 0.0 114.434 171.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.69 155.93 11.25 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.554 1.55 . . . . 0.0 113.643 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -70.03 135.18 49.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.437 1.495 . . . . 0.0 113.124 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -161.01 84.65 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.52 1.528 . . . . 0.0 109.717 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -58.76 -12.15 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.81 -22.94 65.15 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.772 1.229 . . . . 0.0 114.14 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -93.56 157.27 16.28 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -169.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.34 -22.25 64.75 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.65 1.98 . . . . 0.0 115.245 -170.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 p -138.26 143.99 40.32 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.951 0.9 . . . . 0.0 110.458 169.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -97.26 70.47 2.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.0 m -74.43 46.88 0.28 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.549 1.54 . . . . 0.0 110.556 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.3 -179.63 7.52 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.696 1.999 . . . . 0.0 114.428 -168.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.48 -19.04 65.32 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.446 2.299 . . . . 0.0 116.643 -171.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -110.65 4.08 19.85 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.76 1.224 . . . . 0.0 113.265 -171.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 p -59.79 -37.29 78.7 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.4 p -75.64 -29.0 59.01 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.758 0.823 . . . . 0.0 112.851 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -63.42 -21.83 66.52 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.623 1.569 . . . . 0.0 112.914 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -107.98 1.56 22.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.537 1.535 . . . . 0.0 113.719 172.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 47.07 36.95 4.63 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.949 1.7 . . . . 0.0 113.257 -172.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -125.96 20.26 7.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.265 1.426 . . . . 0.0 113.898 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 m -53.99 165.09 0.51 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.954 1.301 . . . . 0.0 113.283 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 155.22 1.64 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.468 -0.77 . . . . 0.0 112.507 173.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.8 p -53.48 -25.91 18.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.153 1.381 . . . . 0.0 114.499 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -141.44 38.45 1.7 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.764 1.226 . . . . 0.0 112.164 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 37.4 t80 -34.38 -51.11 0.45 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.386 1.875 . . . . 0.0 114.147 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -12.08 59.34 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.72 -15.85 7.35 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -120.02 -19.48 7.81 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.2 m -123.04 -13.62 7.75 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 127.275 2.23 . . . . 0.0 113.581 -172.083 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 117.375 2.361 . . . . 0.0 117.375 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -69.16 113.34 6.43 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.339 -1.476 . . . . 0.0 110.581 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.94 15.57 74.71 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.297 1.427 . . . . 0.0 114.955 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -133.73 -24.19 1.75 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.6 m -48.89 126.13 11.63 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.846 1.203 . . . . 0.0 113.896 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 67.07 31.04 7.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.516 1.927 . . . . 0.0 113.817 -176.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.72 -15.73 61.88 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.14 126.76 4.62 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.168 1.366 . . . . 0.0 111.969 -169.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.68 149.36 48.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.172 1.389 . . . . 0.0 113.998 -172.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -163.42 114.08 1.38 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.135 2.574 . . . . 0.0 105.544 168.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.6 -14.03 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.55 -16.99 60.2 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.46 156.57 38.65 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.05 0.94 . . . . 0.0 111.253 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -77.32 -9.52 58.88 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 p -143.79 149.5 37.15 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.687 1.995 . . . . 0.0 107.331 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -109.2 64.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 169.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.3 42.36 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.522 1.929 . . . . 0.0 111.743 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -149.36 169.23 21.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.06 2.144 . . . . 0.0 113.25 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.67 -36.84 62.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.493 2.317 . . . . 0.0 116.244 -170.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.6 mt -85.06 -1.74 57.18 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -172.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p -62.26 -34.97 77.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 m -63.87 -28.15 69.65 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.004 0.922 . . . . 0.0 113.287 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.76 -14.57 62.84 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.077 1.751 . . . . 0.0 113.424 173.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -117.38 -18.24 9.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.426 1.49 . . . . 0.0 114.204 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 60.21 5.98 0.92 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.611 2.364 . . . . 0.0 115.425 -172.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m -75.42 -0.65 20.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.677 1.991 . . . . 0.0 114.8 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -50.64 162.21 0.27 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.961 2.504 . . . . 0.0 117.385 -169.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -50.42 136.73 20.05 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.692 0.797 . . . . 0.0 110.817 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -62.42 -8.25 5.78 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -169.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -138.07 25.11 2.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.241 1.416 . . . . 0.0 112.624 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.404 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 51.2 t80 -33.51 -50.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.045 2.138 . . . . 0.0 115.267 -177.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 p -63.67 -12.7 36.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -27.7 5.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.894 1.278 . . . . 0.0 113.155 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -91.46 -44.35 9.17 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -9.05 9.48 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 127.803 2.441 . . . . 0.0 112.157 177.813 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 8.3 t . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -69.74 91.07 0.61 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.443 1.474 . . . . 0.0 111.446 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.77 3.4 8.42 Favored Glycine 0 CA--C 1.543 1.811 0 C-N-CA 126.742 2.115 . . . . 0.0 114.545 -171.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -132.1 -35.04 1.23 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 -169.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -46.15 130.86 10.31 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 67.92 27.7 7.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.123 2.169 . . . . 0.0 113.598 -171.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -21.35 64.32 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.148 -1.595 . . . . 0.0 114.744 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.17 153.09 29.2 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.054 1.311 . . . . 0.0 112.81 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.56 136.83 49.58 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -164.7 89.87 0.52 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.506 1.922 . . . . 0.0 108.789 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.263 3.1 p -58.89 -8.21 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -169.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.3 -28.48 66.31 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.909 -1.12 . . . . 0.0 113.097 169.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -72.28 154.23 41.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.5 1.12 . . . . 0.0 113.721 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.98 -23.59 66.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.397 1.879 . . . . 0.0 114.503 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 p -137.39 147.88 45.79 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.454 1.102 . . . . 0.0 110.095 169.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -102.45 66.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 168.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.1 m -72.67 47.9 0.19 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.649 1.98 . . . . 0.0 110.85 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -150.19 -179.82 7.5 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.439 1.896 . . . . 0.0 114.273 -168.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.42 -20.05 66.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -172.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.8 mt -104.35 -11.3 17.21 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.171 1.35 . . . . 0.0 114.142 -170.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 p -60.05 -28.41 67.76 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -63.99 -20.82 66.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.035 1.334 . . . . 0.0 113.08 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -92.46 -44.91 8.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.398 . . . . 0.0 111.627 169.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -73.15 -9.25 58.52 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 55.78 39.67 30.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.258 1.823 . . . . 0.0 113.211 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.2 p -130.28 14.65 5.61 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.893 1.677 . . . . 0.0 114.943 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.78 161.58 7.81 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 157.6 10.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.306 1.042 . . . . 0.0 111.594 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.6 p -57.3 -22.62 43.07 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -169.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -140.5 32.56 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.67 1.188 . . . . 0.0 112.365 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.415 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 63.0 t80 -29.82 -56.11 0.17 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.679 2.392 . . . . 0.0 116.01 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -10.27 51.51 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -30.19 4.58 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -104.81 -24.71 12.86 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 2.8 m -120.84 -9.06 9.35 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -175.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt . . . . . 0 CA--C 1.551 0.986 0 C-N-CA 126.969 2.107 . . . . 0.0 113.349 -169.567 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -68.81 104.09 1.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.715 1.143 . . . . 0.0 112.097 -168.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.14 -4.09 20.41 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 126.246 1.879 . . . . 0.0 114.906 -173.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -131.45 -28.51 1.86 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -169.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -38.16 124.61 1.22 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 66.91 27.73 8.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.616 2.367 . . . . 0.0 114.064 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -67.32 -15.07 63.48 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.6 138.14 10.12 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.11 1.338 . . . . 0.0 110.416 -168.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.4 ' CZ ' ' CE2' ' A' ' 28' ' ' TYR . 74.9 t80 -69.62 142.35 53.51 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.397 1.079 . . . . 0.0 113.669 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -156.08 94.31 1.51 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.842 1.657 . . . . 0.0 109.4 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.91 -13.49 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.72 -27.63 65.13 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -71.22 151.86 43.9 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -60.48 -28.57 68.45 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.495 1.518 . . . . 0.0 114.0 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.6 145.13 50.27 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.685 0.755 . . . . 0.0 110.745 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -100.31 65.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 168.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -67.15 38.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 127.341 2.256 . . . . 0.0 112.781 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -151.2 166.39 31.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.371 1.868 . . . . 0.0 113.071 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.46 -38.71 55.11 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.496 2.318 . . . . 0.0 116.085 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.97 -8.43 56.93 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 p -57.65 -27.71 63.07 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -63.68 -9.81 15.93 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.697 1.599 . . . . 0.0 114.2 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -111.17 -6.96 14.5 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.837 2.055 . . . . 0.0 112.582 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' CE2' ' CZ ' ' A' ' 13' ' ' PHE . 50.8 m-85 -120.08 -7.98 9.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 53.71 31.0 12.02 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.576 1.55 . . . . 0.0 113.761 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.1 m -127.74 21.11 6.5 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.268 1.827 . . . . 0.0 112.329 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.86 167.11 14.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.45 1.5 . . . . 0.0 114.3 -176.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.68 148.13 35.05 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.796 -0.565 . . . . 0.0 110.024 168.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -57.84 -23.04 50.94 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.549 1.54 . . . . 0.0 115.088 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.46 35.07 3.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 111.38 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 64.9 t80 -42.18 -52.37 4.39 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 p -65.31 -11.52 42.59 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.17 -25.25 5.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.743 1.217 . . . . 0.0 113.797 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -120.43 -20.56 7.16 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.7 m -120.92 -17.2 7.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -174.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 tptt . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 126.421 1.888 . . . . 0.0 112.567 -169.783 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -69.12 120.51 15.07 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.124 -1.61 . . . . 0.0 110.897 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.09 12.53 84.28 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.282 1.42 . . . . 0.0 115.191 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -133.33 -26.75 1.63 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -49.1 132.51 19.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.613 1.097 . . . . 0.0 113.906 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 62.64 27.94 16.39 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.029 2.132 . . . . 0.0 114.029 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.16 -19.92 65.98 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.22 151.06 7.88 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 124.944 1.259 . . . . 0.0 111.86 -169.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.25 138.78 54.24 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.167 -1.196 . . . . 0.0 112.765 -169.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -148.43 102.43 3.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.434 1.493 . . . . 0.0 107.277 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -50.73 -24.04 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 126.58 1.952 . . . . 0.0 114.78 -169.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.67 -21.57 55.22 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.72 150.2 47.2 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.414 1.085 . . . . 0.0 113.211 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.84 -38.27 86.09 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.389 1.476 . . . . 0.0 112.335 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.47 167.24 10.61 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.345 1.058 . . . . 0.0 108.634 168.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -125.07 69.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 169.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.9 m -73.32 38.48 0.09 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.288 1.835 . . . . 0.0 112.293 -171.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -144.57 177.7 8.49 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.28 -30.96 67.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.669 1.988 . . . . 0.0 115.784 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.6 mt -92.6 -0.72 57.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.121 0.968 . . . . 0.0 113.267 -173.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.7 p -63.19 -30.28 71.46 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -70.01 -31.61 69.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.057 0.943 . . . . 0.0 112.783 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -63.22 -22.65 67.0 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.444 1.097 . . . . 0.0 113.099 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -107.83 -12.06 15.26 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.951 1.3 . . . . 0.0 114.185 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 53.56 41.63 32.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.825 1.65 . . . . 0.0 112.685 -169.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.1 m -122.39 17.6 10.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.369 1.468 . . . . 0.0 113.845 -172.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 m -58.78 163.75 3.18 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.797 1.639 . . . . 0.0 115.242 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.19 151.67 12.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.541 1.136 . . . . 0.0 111.057 168.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.5 p -60.99 -18.92 60.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -172.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -133.38 30.93 3.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.91 1.684 . . . . 0.0 111.717 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -36.93 -53.25 0.95 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.417 1.887 . . . . 0.0 115.308 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 p -65.9 -12.19 52.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.35 -15.65 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.711 1.604 . . . . 0.0 113.919 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -120.28 -31.52 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.51 -25.32 5.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 120.27 1.396 . . . . 0.0 113.173 -169.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt . . . . . 0 N--CA 1.473 0.702 0 C-N-CA 128.777 2.831 . . . . 0.0 113.101 -176.268 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.4 t . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 79.96 0.39 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.73 1.212 . . . . 0.0 111.964 -170.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.74 -0.8 4.21 Favored Glycine 0 CA--C 1.544 1.845 0 C-N-CA 127.006 2.241 . . . . 0.0 115.104 -171.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -131.15 -27.26 2.04 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -45.81 128.83 9.08 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -170.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 55.86 33.69 22.06 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.252 2.221 . . . . 0.0 113.832 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.96 -22.85 64.84 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.429 -1.419 . . . . 0.0 114.379 170.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.7 137.84 7.06 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 127.014 2.245 . . . . 0.0 110.785 -172.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.09 140.21 54.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.801 0.81 . . . . 0.0 111.525 -173.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -160.73 103.16 1.34 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.988 1.715 . . . . 0.0 107.424 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.19 -16.2 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -171.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -68.21 -23.56 64.83 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.52 149.45 48.22 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.094 0.958 . . . . 0.0 112.17 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -59.08 -30.07 67.81 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -127.66 144.67 51.06 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.139 0.975 . . . . 0.0 110.94 169.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -96.29 65.58 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 167.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.91 33.48 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.631 2.373 . . . . 0.0 111.563 171.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -141.19 174.87 10.12 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 -167.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.74 -8.99 12.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.961 2.505 . . . . 0.0 116.582 -169.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -120.09 4.57 10.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.581 1.552 . . . . 0.0 113.258 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 p -58.58 -36.95 74.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -169.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.7 t -64.75 -39.66 93.99 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.867 0.867 . . . . 0.0 111.813 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.76 -13.4 23.1 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.868 1.667 . . . . 0.0 114.175 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.82 -0.35 13.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.463 1.505 . . . . 0.0 113.959 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 46.29 35.07 2.48 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.565 1.546 . . . . 0.0 113.227 -172.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 m -124.55 18.65 8.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.394 1.478 . . . . 0.0 114.035 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -58.44 160.21 5.56 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.757 1.223 . . . . 0.0 113.918 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -57.96 161.14 4.17 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.404 1.082 . . . . 0.0 111.507 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.8 p -55.61 -25.11 36.88 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -172.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.13 40.77 1.37 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.684 1.194 . . . . 0.0 112.213 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.445 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 65.3 t80 -39.83 -54.1 2.17 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.095 1.758 . . . . 0.0 114.81 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -13.84 61.05 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.37 -21.68 6.79 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -120.1 -20.27 7.48 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 1.9 m -120.94 -13.92 8.54 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 127.254 2.222 . . . . 0.0 113.958 -169.67 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 4.2 t . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -69.69 97.33 1.05 Allowed 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.358 -1.464 . . . . 0.0 111.201 -169.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.99 48.11 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.544 1.545 . . . . 0.0 114.666 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -129.37 -20.04 3.38 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -53.91 15.48 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.929 3.677 . . . . 0.0 120.929 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.6 p -142.28 15.6 2.04 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.763 2.825 . . . . 0.0 111.681 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.07 -15.56 45.9 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.22 143.34 13.62 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.449 1.5 . . . . 0.0 113.925 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -72.79 134.62 45.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.473 1.509 . . . . 0.0 114.221 -172.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -158.48 99.17 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.791 2.036 . . . . 0.0 106.723 169.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.56 -12.88 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -169.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.08 -18.07 60.87 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.22 152.6 44.87 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 121.032 -1.043 . . . . 0.0 112.39 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -63.95 -23.71 67.45 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.764 1.625 . . . . 0.0 113.993 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 p -137.81 158.45 44.32 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.27 1.828 . . . . 0.0 108.307 168.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -111.36 65.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m -72.95 50.06 0.25 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.185 2.194 . . . . 0.0 110.388 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -149.27 166.64 28.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.309 1.444 . . . . 0.0 112.633 -169.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.91 -23.36 53.04 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.4 mt -99.08 0.42 43.6 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 5.1 p -58.72 -21.26 54.58 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -168.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -76.28 -26.2 55.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -69.56 -28.79 66.3 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.865 -1.147 . . . . 0.0 113.372 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 5.9 p90 -120.8 14.07 11.61 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.653 1.581 . . . . 0.0 114.015 175.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 45.96 45.0 11.9 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.521 2.328 . . . . 0.0 116.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.9 m -131.76 25.47 4.69 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -173.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -54.52 164.13 0.78 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.513 1.525 . . . . 0.0 115.02 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.06 151.14 7.22 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.606 0.762 . . . . 0.0 111.392 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 p -59.16 -15.07 12.56 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -131.2 20.09 4.87 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.448 1.499 . . . . 0.0 113.021 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -38.48 -52.42 1.58 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -68.42 -6.51 25.05 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -32.06 4.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.773 1.629 . . . . 0.0 113.731 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -120.69 -18.63 7.66 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 2.8 m -120.49 -10.54 9.25 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.131 1.332 . . . . 0.0 114.25 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.5 pttt . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 126.254 1.821 . . . . 0.0 112.603 -176.799 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.86 89.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.198 0.999 . . . . 0.0 112.015 -170.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.91 4.95 12.29 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.998 2.237 . . . . 0.0 115.372 -172.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -133.21 -24.95 1.81 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.25 126.41 18.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.087 1.312 . . . . 0.0 113.556 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 62.99 30.3 16.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.472 1.909 . . . . 0.0 113.424 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -60.29 -20.82 60.67 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.55 152.32 14.29 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.506 1.527 . . . . 0.0 113.006 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -75.72 142.2 42.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.609 1.195 . . . . 0.0 113.988 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -155.95 119.35 4.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 128.093 2.557 . . . . 0.0 104.4 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.23 -10.34 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.8 -32.25 21.88 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -73.82 147.0 43.77 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.987 0.812 . . . . 0.0 113.176 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -69.57 -31.87 70.31 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.383 1.473 . . . . 0.0 114.715 -170.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 t -107.1 110.73 22.91 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.933 0.893 . . . . 0.0 109.62 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -87.31 70.49 10.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.396 1.569 . . . . 0.0 107.325 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 36.66 0.07 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.809 2.044 . . . . 0.0 111.146 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.0 178.16 8.41 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.529 1.931 . . . . 0.0 114.4 -167.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -63.02 -20.84 65.7 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.72 1.69 23.21 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.615 1.098 . . . . 0.0 113.509 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 -33.27 74.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -64.39 -35.08 79.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.075 0.95 . . . . 0.0 112.531 -176.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -63.52 -15.74 58.78 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.361 1.865 . . . . 0.0 113.653 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.63 -9.59 10.21 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.36 1.464 . . . . 0.0 114.344 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 54.59 33.99 20.35 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.158 1.783 . . . . 0.0 113.504 -172.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.1 m -116.8 19.6 14.37 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.605 1.562 . . . . 0.0 113.231 -173.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 m -60.66 162.67 6.29 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.444 1.498 . . . . 0.0 113.516 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 147.26 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.463 1.105 . . . . 0.0 113.033 168.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -61.61 -11.34 11.0 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -136.99 27.54 2.93 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.19 1.396 . . . . 0.0 112.487 171.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -38.54 -49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.679 1.992 . . . . 0.0 114.943 -174.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -10.88 41.06 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -173.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.72 -34.61 3.54 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 113.45 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -88.35 -36.42 16.62 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.1 -12.76 9.05 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -169.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 127.641 2.376 . . . . 0.0 113.488 -173.59 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -69.44 95.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.869 -1.144 . . . . 0.0 112.305 -169.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.29 0.18 14.3 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 127.084 2.278 . . . . 0.0 115.249 -173.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -133.52 -22.31 1.94 Allowed 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.96 129.09 19.96 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 57.66 23.83 9.86 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.435 2.294 . . . . 0.0 114.213 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.22 -24.36 67.84 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 119.849 -1.782 . . . . 0.0 114.863 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 161.15 12.49 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.79 1.662 . . . . 0.0 111.926 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.0 125.12 25.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.454 -1.027 . . . . 0.0 113.113 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -148.3 79.93 1.45 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.192 1.797 . . . . 0.0 110.338 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.56 -15.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.12 -6.43 51.17 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.97 2.108 . . . . 0.0 114.941 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -110.84 171.07 7.68 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.66 1.184 . . . . 0.0 113.199 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.94 -10.58 59.54 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.1 1.36 . . . . 0.0 114.491 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 p -139.92 149.64 43.58 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.221 1.408 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -106.53 63.53 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 169.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.7 m -68.56 43.87 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.234 2.214 . . . . 0.0 111.529 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -145.12 177.89 8.46 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -168.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.31 -18.23 57.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.599 2.36 . . . . 0.0 116.155 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -113.94 -4.5 13.25 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.693 1.197 . . . . 0.0 113.875 -169.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 p -60.11 -29.67 68.76 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -66.88 -8.52 29.7 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.53 1.532 . . . . 0.0 114.306 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -96.64 -41.66 8.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.505 1.522 . . . . 0.0 111.42 170.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -74.27 -23.59 59.14 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 65.68 1.34 1.73 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.463 2.305 . . . . 0.0 115.173 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -79.35 -0.6 33.31 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.97 1.708 . . . . 0.0 114.816 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -51.18 162.75 0.28 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 118.275 2.695 . . . . 0.0 118.275 -169.294 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.5 140.1 23.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.884 0.874 . . . . 0.0 111.256 169.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.7 p -63.21 -12.56 29.35 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -136.87 28.29 2.92 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 111.726 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 38.0 t80 -37.44 -50.04 1.06 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.95 2.1 . . . . 0.0 115.228 -173.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.53 -10.63 46.97 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.79 -39.2 2.75 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.405 1.082 . . . . 0.0 113.473 170.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.94 -34.92 32.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -118.87 -21.39 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -168.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt . . . . . 0 N--CA 1.482 1.152 0 C-N-CA 128.767 2.827 . . . . 0.0 116.217 -169.708 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 43.5 t . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -69.16 98.04 0.97 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.686 1.13 . . . . 0.0 111.815 -168.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.91 -8.27 6.08 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.788 2.137 . . . . 0.0 115.031 -170.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -134.4 -26.04 1.47 Allowed 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -44.49 147.26 0.6 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.6 24.44 8.54 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.235 1.814 . . . . 0.0 113.072 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.76 -12.33 61.49 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.16 131.57 7.06 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.385 1.469 . . . . 0.0 111.617 -169.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 57.3 t80 -70.24 142.77 52.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.086 1.354 . . . . 0.0 113.642 -171.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.08 113.16 3.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.918 1.687 . . . . 0.0 108.502 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 p -73.96 -8.51 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -171.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.35 -21.01 46.39 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -73.38 167.53 21.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.002 1.321 . . . . 0.0 113.43 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.02 -18.25 60.38 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.861 1.264 . . . . 0.0 113.482 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.6 p -141.47 150.13 41.83 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.239 1.816 . . . . 0.0 107.525 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -105.31 58.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 171.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -67.03 41.23 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 127.756 2.423 . . . . 0.0 114.239 -173.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -147.42 164.81 32.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.978 2.111 . . . . 0.0 112.768 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.54 -35.0 27.6 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.298 2.239 . . . . 0.0 116.961 -169.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -76.48 -13.94 60.07 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 p -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -172.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.2 p -68.32 -13.03 61.97 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 114.032 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -93.51 -44.2 8.35 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.447 1.499 . . . . 0.0 111.33 169.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 63.8 m-85 -75.17 -15.91 60.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 61.41 18.68 9.55 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.557 1.943 . . . . 0.0 114.844 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 p -100.31 -4.96 28.15 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.689 1.995 . . . . 0.0 114.85 -170.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.64 166.58 0.9 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 117.967 2.58 . . . . 0.0 117.967 -169.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 p -52.96 148.24 8.06 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.139 0.976 . . . . 0.0 110.672 168.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -54.04 -25.71 22.81 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.991 1.717 . . . . 0.0 115.02 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.28 29.43 3.66 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.236 1.414 . . . . 0.0 112.754 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.421 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 86.4 t80 -32.49 -58.14 0.33 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -7.46 28.69 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -31.56 4.27 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.294 1.438 . . . . 0.0 113.965 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -120.44 -16.62 8.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -169.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.432 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 1.8 m -120.77 1.03 10.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 125.533 1.533 . . . . 0.0 111.368 -171.303 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -66.71 101.31 0.79 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.359 0.981 . . . . 0.0 112.723 -168.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.83 28.56 73.46 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.038 1.78 . . . . 0.0 114.921 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -134.97 -36.16 0.83 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.2 m -46.87 138.86 5.94 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m 73.53 20.75 3.04 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.721 2.408 . . . . 0.0 112.738 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -62.55 -26.69 68.7 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.88 155.85 9.33 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.43 1.491 . . . . 0.0 112.94 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.03 132.96 35.4 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -158.68 102.52 1.7 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.535 1.934 . . . . 0.0 108.344 169.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.96 -10.15 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -76.98 -21.47 54.66 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -72.1 173.71 8.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.368 1.067 . . . . 0.0 113.536 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -80.23 -26.73 38.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.847 1.259 . . . . 0.0 112.778 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.58 145.82 51.44 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.432 1.11 . . . . 0.0 109.148 168.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -106.71 64.96 0.66 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -71.21 49.49 0.14 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.299 2.239 . . . . 0.0 110.74 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.36 178.41 7.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.858 1.663 . . . . 0.0 114.928 -168.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.61 -8.42 56.29 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -172.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.1 mt -120.04 -5.54 10.02 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.831 1.252 . . . . 0.0 113.516 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -59.33 -31.55 69.28 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -70.91 -31.27 67.85 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.176 -0.953 . . . . 0.0 112.618 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.6 -20.44 66.32 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.992 1.717 . . . . 0.0 112.966 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -106.57 -2.57 21.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.76 1.624 . . . . 0.0 113.78 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 48.06 36.32 6.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.479 1.912 . . . . 0.0 113.269 -171.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 p -110.31 -1.42 17.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.732 1.613 . . . . 0.0 114.977 -169.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.03 158.37 1.48 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 115.781 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.6 148.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.91 1.284 . . . . 0.0 112.952 169.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -57.03 -23.9 49.82 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.687 1.595 . . . . 0.0 114.61 -173.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -127.2 28.17 5.78 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.201 1.8 . . . . 0.0 111.501 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -44.48 -51.31 8.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.622 1.569 . . . . 0.0 114.17 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 p -67.07 -15.27 63.61 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.59 -23.36 11.86 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.995 1.318 . . . . 0.0 113.458 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.53 -51.41 2.17 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -89.22 -23.3 22.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -169.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? . . . . . 0 CA--C 1.55 0.947 0 C-N-CA 128.802 2.841 . . . . 0.0 115.629 -169.571 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -69.08 93.98 0.63 Allowed 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.79 -1.194 . . . . 0.0 111.558 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.08 16.66 34.67 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.93 1.729 . . . . 0.0 115.365 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -127.66 -23.78 3.38 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.88 1.84 . . . . 0.0 115.844 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 m -52.14 142.65 15.9 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 66.69 25.43 9.81 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.904 2.081 . . . . 0.0 113.385 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.06 -15.97 63.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.32 170.48 19.03 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.609 1.576 . . . . 0.0 112.176 -169.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -100.39 134.3 43.54 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.461 -1.023 . . . . 0.0 112.181 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -157.31 92.26 1.23 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.875 1.67 . . . . 0.0 108.493 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -56.29 -14.87 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.68 -25.45 63.89 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -69.86 153.63 43.04 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.66 -19.08 63.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.561 1.944 . . . . 0.0 114.104 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.8 p -140.59 148.03 40.33 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.211 1.404 . . . . 0.0 109.232 168.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.84 69.5 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 167.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.5 m -70.31 42.07 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.121 1.769 . . . . 0.0 111.821 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -152.01 172.99 15.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.239 1.816 . . . . 0.0 113.607 -169.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.05 -33.48 67.27 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.941 2.096 . . . . 0.0 115.908 -169.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.27 -4.96 59.27 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 p -60.98 -30.16 70.11 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -173.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -68.94 -5.2 19.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.813 1.245 . . . . 0.0 113.785 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -100.56 -9.31 22.13 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.6 1.96 . . . . 0.0 112.446 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -120.08 -11.2 9.29 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.835 1.654 . . . . 0.0 114.675 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 57.43 31.52 20.35 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.288 1.835 . . . . 0.0 113.926 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 p -120.69 20.94 11.65 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.881 2.072 . . . . 0.0 112.976 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.8 m -57.24 175.3 0.15 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.362 2.265 . . . . 0.0 114.548 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 m -50.47 162.26 0.25 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.086 0.954 . . . . 0.0 113.172 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -56.46 -27.74 57.74 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -143.47 41.12 1.46 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.166 1.386 . . . . 0.0 112.349 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -43.55 -48.92 7.56 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.303 1.841 . . . . 0.0 115.184 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 p -66.21 -14.13 61.42 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -10.24 9.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -120.1 -31.22 4.48 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.79 -21.91 6.46 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -169.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.5 tptt . . . . . 0 N--CA 1.478 0.925 0 C-N-CA 127.696 2.399 . . . . 0.0 113.074 -171.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 7.7 t . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.24 98.46 1.04 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.225 -1.547 . . . . 0.0 111.633 -169.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.85 11.82 31.57 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 126.084 1.802 . . . . 0.0 114.93 -171.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -131.47 -26.59 2.04 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 m -49.66 4.77 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 121.469 3.877 . . . . 0.0 121.469 -169.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.3 p -142.38 20.61 2.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.426 1.89 . . . . 0.0 112.112 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.91 -15.95 57.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.5 166.2 26.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.507 1.527 . . . . 0.0 113.302 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -107.4 136.12 47.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.401 1.081 . . . . 0.0 111.456 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -162.5 100.13 1.04 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.714 2.006 . . . . 0.0 105.87 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -11.85 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -169.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -74.82 -17.83 60.55 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.47 156.34 39.02 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.574 1.079 . . . . 0.0 112.716 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.97 -25.21 68.26 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.797 1.639 . . . . 0.0 113.603 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -141.6 158.42 43.86 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.837 1.255 . . . . 0.0 109.553 168.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -111.3 55.33 0.66 Allowed 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.769 1.227 . . . . 0.0 107.935 169.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.3 m -69.09 53.07 0.09 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.505 1.922 . . . . 0.0 111.552 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -154.63 169.14 24.57 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.426 2.291 . . . . 0.0 112.015 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.46 -10.61 0.26 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -117.46 -2.93 11.43 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.228 1.376 . . . . 0.0 114.597 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.4 p -69.19 -27.1 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -170.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -62.1 -29.11 70.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.379 0.991 . . . . 0.0 112.767 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -71.49 -16.7 62.36 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.05 2.14 . . . . 0.0 113.967 172.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -116.09 -15.11 11.15 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 54.29 29.66 11.14 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.136 1.774 . . . . 0.0 114.371 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 p -110.24 18.52 19.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.27 2.228 . . . . 0.0 113.057 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 179.61 7.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.693 1.597 . . . . 0.0 114.858 -170.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.97 162.06 4.5 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.932 0.893 . . . . 0.0 110.277 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.7 m -57.13 -28.43 62.71 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -172.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -139.61 33.16 2.03 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.38 1.072 . . . . 0.0 113.595 -170.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -36.05 -55.31 0.77 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -175.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.8 p -65.4 -9.04 21.76 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.25 -32.19 4.2 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.373 1.469 . . . . 0.0 113.708 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.56 -20.34 7.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.49 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 2.0 m -122.44 -0.13 9.33 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.1 pttt . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.121 0.968 . . . . 0.0 112.731 -170.772 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -69.03 97.93 0.92 Allowed 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.081 -1.012 . . . . 0.0 111.731 -168.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 32.7 76.94 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.986 1.279 . . . . 0.0 113.682 -169.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -34.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.37 153.34 43.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.18 29.15 3.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 128.456 2.702 . . . . 0.0 113.808 -175.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -20.89 60.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -173.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.41 144.93 15.07 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.592 1.568 . . . . 0.0 113.106 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -69.64 139.71 53.6 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 125.009 1.323 . . . . 0.0 114.045 -168.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -166.65 101.6 0.58 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.336 2.254 . . . . 0.0 107.009 168.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.73 -10.64 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.27 -20.66 60.78 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.54 1.136 . . . . 0.0 113.785 169.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -69.57 149.0 48.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.437 1.095 . . . . 0.0 111.635 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.13 -13.49 62.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.081 1.352 . . . . 0.0 113.516 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 p -142.23 144.05 33.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.9 1.68 . . . . 0.0 109.235 168.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -94.06 68.2 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.54 47.91 0.18 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.131 1.773 . . . . 0.0 110.45 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -154.31 179.87 8.58 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.874 1.67 . . . . 0.0 114.389 -169.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.53 -15.4 60.85 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -172.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.0 mt -111.53 1.82 17.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.993 1.269 . . . . 0.0 113.954 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 p -57.66 -36.76 72.32 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -68.57 -6.92 28.25 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.22 -13.91 27.74 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.455 1.902 . . . . 0.0 112.454 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.39 -15.98 8.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 65.62 3.66 2.52 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.572 2.349 . . . . 0.0 115.271 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 p -83.21 21.54 1.1 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.068 2.547 . . . . 0.0 113.958 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -58.52 160.34 5.52 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.901 1.68 . . . . 0.0 115.012 -176.25 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.05 155.13 8.7 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 122.976 0.51 . . . . 0.0 111.683 170.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 p -68.16 -14.05 62.68 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -170.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -137.27 15.73 3.0 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 -170.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 54.7 t80 -36.59 -62.8 0.44 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.726 2.41 . . . . 0.0 116.051 -169.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -2.73 16.12 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -172.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.65 -22.59 6.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.568 1.547 . . . . 0.0 113.32 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -120.62 -62.96 1.4 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.98 1.312 . . . . 0.0 114.052 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.53 -6.01 59.08 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptm . . . . . 0 CA--C 1.547 0.853 0 C-N-CA 127.979 2.511 . . . . 0.0 112.676 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 9.9 t . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -69.68 101.06 1.58 Allowed 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.039 -1.038 . . . . 0.0 110.697 -175.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.32 8.1 36.29 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.851 1.691 . . . . 0.0 114.988 -170.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -133.06 -38.18 0.97 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.633 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.9 m -38.7 142.96 0.17 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.325 42.3 p 70.94 38.2 1.18 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.854 2.462 . . . . 0.0 112.2 -169.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.86 -25.27 60.5 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.282 1.433 . . . . 0.0 114.429 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.7 155.44 10.16 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.407 1.003 . . . . 0.0 111.006 -168.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CE1' ' HB ' ' A' ' 15' ' ' VAL . 17.1 t80 -69.94 125.65 27.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.659 -0.907 . . . . 0.0 112.626 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -154.34 81.06 1.12 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.221 1.409 . . . . 0.0 109.23 172.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 2.3 p -56.65 -13.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -169.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.82 -22.67 65.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.919 1.288 . . . . 0.0 114.392 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -95.48 157.91 15.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -169.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.26 -26.07 68.61 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 t -136.0 135.52 39.56 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.569 0.747 . . . . 0.0 111.532 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -95.08 66.83 3.01 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 123.034 1.397 . . . . 0.0 107.256 168.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -81.22 52.3 1.78 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.198 1.799 . . . . 0.0 109.187 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -149.18 175.14 11.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.694 1.598 . . . . 0.0 114.215 -169.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.54 -23.11 65.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.945 2.098 . . . . 0.0 116.636 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -101.05 -1.64 33.68 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 120.275 1.398 . . . . 0.0 113.682 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 4.3 p -58.53 -22.03 54.12 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -73.6 -27.03 61.08 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.57 -29.04 65.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.487 1.115 . . . . 0.0 113.344 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 6.6 p90 -120.8 13.78 11.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.8 1.64 . . . . 0.0 114.126 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 45.74 48.77 11.62 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.678 2.391 . . . . 0.0 116.098 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -130.52 22.57 5.11 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -175.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.7 m -61.46 165.16 5.01 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.899 1.279 . . . . 0.0 114.42 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.68 154.54 0.67 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.761 1.225 . . . . 0.0 112.906 168.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -55.99 -20.44 16.48 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -141.71 36.33 1.62 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.97 1.308 . . . . 0.0 112.013 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 48.8 t80 -33.77 -54.84 0.46 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.086 2.155 . . . . 0.0 115.492 -177.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -11.05 58.61 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -172.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.41 -30.78 4.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.768 1.227 . . . . 0.0 114.117 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -103.72 -21.77 13.65 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 3.3 m -120.87 -28.66 4.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp . . . . . 0 CA--C 1.55 0.98 0 C-N-CA 129.525 3.13 . . . . 0.0 116.317 -169.606 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 118.314 2.709 . . . . 0.0 118.314 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -68.49 100.0 1.04 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.807 1.64 . . . . 0.0 111.977 -168.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.43 15.7 75.63 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 126.368 1.937 . . . . 0.0 115.212 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -141.4 -28.68 0.65 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -169.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -58.78 141.54 52.71 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 120.826 1.648 . . . . 0.0 115.245 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 59.35 29.89 19.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.467 2.707 . . . . 0.0 113.815 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.73 -14.34 60.33 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.94 129.97 5.89 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.151 1.357 . . . . 0.0 110.141 -168.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.412 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 77.0 t80 -69.14 139.74 54.69 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -150.9 112.85 4.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.39 1.876 . . . . 0.0 108.313 169.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -73.46 -6.4 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.44 -17.62 48.15 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.544 1.138 . . . . 0.0 113.999 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.68 169.23 13.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.971 1.308 . . . . 0.0 112.104 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -75.72 -51.83 11.82 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.201 -0.937 . . . . 0.0 110.302 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 p -93.46 157.56 16.15 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 167.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -115.22 69.93 0.73 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 168.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 98.9 m -70.31 38.46 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.31 1.844 . . . . 0.0 112.655 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -149.58 165.0 33.58 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.578 -1.326 . . . . 0.0 113.241 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.55 -35.67 13.84 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.797 2.439 . . . . 0.0 116.699 -169.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -80.29 -11.82 59.68 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.9 p -60.31 -27.9 67.69 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -173.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -74.66 -11.26 60.14 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.395 1.078 . . . . 0.0 113.696 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -90.33 -42.99 10.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 110.126 169.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 49.9 m-85 -75.29 -8.85 57.76 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 177.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 56.08 39.52 30.39 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.853 1.661 . . . . 0.0 112.892 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.5 p -124.23 5.14 8.49 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -52.89 159.35 1.16 Allowed 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 11.3 m -39.9 156.28 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.346 1.859 . . . . 0.0 115.581 173.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 m -54.53 -27.09 35.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.046 1.338 . . . . 0.0 113.775 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.49 24.45 3.18 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.385 1.474 . . . . 0.0 113.387 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -36.25 -54.46 0.81 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.736 2.015 . . . . 0.0 115.825 -170.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 p -70.35 -10.38 58.86 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.21 -14.23 11.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.448 1.499 . . . . 0.0 112.985 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -120.64 -72.01 0.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.542 1.537 . . . . 0.0 112.786 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 m -74.81 -21.81 59.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -168.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 129.011 2.924 . . . . 0.0 114.149 -172.163 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 CA--C 1.546 0.813 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 130.93 46.51 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.294 -1.504 . . . . 0.0 111.768 -168.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.54 -1.22 88.37 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 125.835 1.684 . . . . 0.0 115.681 -173.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.28 -22.37 1.76 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.2 m -45.48 143.75 1.76 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 59.51 31.05 20.74 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.32 2.248 . . . . 0.0 113.381 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.95 -20.62 65.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 161.97 22.56 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.258 1.409 . . . . 0.0 113.367 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -70.24 135.3 48.87 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.891 1.276 . . . . 0.0 113.818 -175.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -161.16 90.66 0.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.753 1.621 . . . . 0.0 109.801 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -62.82 -9.41 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.35 -26.48 64.7 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.945 -1.097 . . . . 0.0 113.158 169.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -76.0 149.18 37.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.33 1.052 . . . . 0.0 113.114 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.69 -15.84 63.18 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.981 1.713 . . . . 0.0 114.551 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 t -137.32 130.66 31.07 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.805 1.242 . . . . 0.0 111.072 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -87.5 73.74 9.44 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 m -81.1 47.04 0.97 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.07 1.348 . . . . 0.0 109.67 -174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -151.77 177.47 10.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.811 2.044 . . . . 0.0 114.303 -168.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.58 -20.75 63.66 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -171.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.1 mt -106.71 4.3 27.61 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.927 1.24 . . . . 0.0 113.485 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -61.11 -34.73 75.42 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -169.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.0 p -73.56 -28.87 62.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.727 0.811 . . . . 0.0 112.542 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -64.43 -17.31 63.68 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.022 1.729 . . . . 0.0 112.736 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -112.84 0.88 15.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.932 1.693 . . . . 0.0 113.79 172.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 47.35 35.52 4.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.0 1.72 . . . . 0.0 113.451 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -125.1 19.38 8.34 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.286 1.434 . . . . 0.0 113.741 -169.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.1 m -61.24 159.21 12.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.091 1.356 . . . . 0.0 113.82 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.61 151.26 2.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.916 0.887 . . . . 0.0 111.04 168.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.9 p -56.86 -17.44 9.41 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -135.58 28.95 3.28 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.475 1.91 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.472 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 62.3 t80 -42.49 -52.7 4.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.938 1.295 . . . . 0.0 114.207 -172.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 p -66.22 -9.7 34.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.29 -27.24 5.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.314 1.446 . . . . 0.0 113.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.21 -21.09 7.11 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -173.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 1.4 m -120.85 -15.63 8.3 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -175.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 126.642 1.977 . . . . 0.0 112.64 -171.728 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -69.59 117.93 11.82 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.209 -0.932 . . . . 0.0 110.812 -169.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.01 10.16 85.22 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.705 1.145 . . . . 0.0 115.027 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -134.73 -30.31 1.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.34 125.54 9.71 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.426 1.012 . . . . 0.0 113.177 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m 64.07 28.76 14.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.403 1.881 . . . . 0.0 113.282 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.03 -15.04 61.89 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.47 7.53 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.832 1.682 . . . . 0.0 112.424 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.65 135.92 50.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.277 1.031 . . . . 0.0 112.301 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -162.24 101.95 1.1 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.766 2.027 . . . . 0.0 106.444 169.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.272 6.2 p -60.99 -8.23 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.32 -23.5 61.17 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.868 1.267 . . . . 0.0 113.79 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -69.48 146.57 51.82 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.852 1.261 . . . . 0.0 112.109 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -63.04 -27.09 69.17 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.3 t -129.51 133.65 47.36 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.45 1.1 . . . . 0.0 109.964 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -91.37 65.91 5.42 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 168.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.3 m -77.68 43.47 0.41 Allowed 'General case' 0 CA--C 1.554 1.11 0 O-C-N 120.624 -1.298 . . . . 0.0 110.188 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -142.14 164.54 29.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.995 1.718 . . . . 0.0 114.004 -169.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.39 -12.56 1.72 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.534 2.733 . . . . 0.0 117.465 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.09 -2.63 16.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.519 1.528 . . . . 0.0 113.766 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.32 -30.4 70.79 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -170.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.5 p -69.43 -26.61 64.69 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.534 -0.728 . . . . 0.0 112.388 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.89 -19.33 65.0 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.226 1.811 . . . . 0.0 112.77 169.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -108.1 -6.39 16.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.028 1.731 . . . . 0.0 114.034 173.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 51.45 37.17 18.58 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.539 1.936 . . . . 0.0 114.068 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 p -127.16 17.47 7.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.514 1.526 . . . . 0.0 114.241 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 m -61.23 170.53 1.67 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.994 1.718 . . . . 0.0 114.418 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -47.11 152.3 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.004 0.922 . . . . 0.0 112.822 169.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -50.75 -27.33 6.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.099 1.76 . . . . 0.0 114.628 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.94 18.93 5.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.431 1.492 . . . . 0.0 113.18 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -31.81 -58.85 0.28 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.0 2.12 . . . . 0.0 115.172 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -9.34 32.12 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -171.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -27.71 5.17 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.104 1.361 . . . . 0.0 113.823 173.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -120.25 -18.77 7.91 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -120.35 -9.5 9.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 176.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 tttt . . . . . 0 CA--C 1.55 0.944 0 C-N-CA 127.689 2.395 . . . . 0.0 114.776 -169.704 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.763 -0.088 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -150.58 156.2 40.91 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.161 1.384 . . . . 0.0 111.027 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.55 177.09 8.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.244 1.417 . . . . 0.0 112.435 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.0 p -144.91 177.39 8.78 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.872 1.669 . . . . 0.0 111.198 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 t -62.45 -9.27 7.94 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -69.36 104.04 2.16 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.226 -1.546 . . . . 0.0 111.013 -170.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.07 6.16 45.91 Favored Glycine 0 CA--C 1.543 1.804 0 C-N-CA 126.08 1.8 . . . . 0.0 115.093 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -132.38 -21.39 2.3 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -170.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.5 120.48 6.71 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 m 52.12 42.89 30.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.646 1.978 . . . . 0.0 113.312 -172.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -63.29 -21.49 66.28 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.29 153.15 25.95 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.559 1.552 . . . . 0.0 113.114 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -69.8 133.31 47.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.449 1.1 . . . . 0.0 113.844 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -160.53 89.41 0.82 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.125 1.77 . . . . 0.0 108.568 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 p -57.74 -13.57 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 -169.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.17 -27.44 66.42 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.064 -1.023 . . . . 0.0 113.6 170.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -72.26 148.31 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.344 1.057 . . . . 0.0 113.221 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -64.23 -23.14 67.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.412 1.485 . . . . 0.0 114.754 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -130.53 125.65 34.8 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 111.337 169.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -85.97 69.77 10.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 167.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -75.84 48.15 0.46 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.724 1.61 . . . . 0.0 109.885 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -152.45 -179.89 7.97 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.544 1.938 . . . . 0.0 115.116 -168.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -61.47 -19.75 62.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.698 2.399 . . . . 0.0 116.87 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.2 mt -109.6 1.33 19.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.913 1.233 . . . . 0.0 113.806 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.8 p -63.17 -30.62 71.73 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -172.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 p -64.05 -33.84 76.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.248 0.931 . . . . 0.0 112.828 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -67.12 -15.18 63.56 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.701 2.0 . . . . 0.0 113.535 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -120.17 -9.28 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 52.06 39.79 27.17 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.787 1.635 . . . . 0.0 113.695 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 p -129.1 21.5 5.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.755 2.022 . . . . 0.0 112.995 -171.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -76.41 166.99 22.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.15 1.78 . . . . 0.0 114.594 -175.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.02 148.78 7.37 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.797 0.839 . . . . 0.0 111.547 168.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 p -58.01 -19.01 27.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -143.43 38.65 1.39 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.092 1.357 . . . . 0.0 112.185 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.409 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 42.6 t80 -38.8 -52.11 1.72 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.918 1.687 . . . . 0.0 114.42 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -11.29 57.42 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.56 -12.67 8.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.061 1.345 . . . . 0.0 114.439 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -118.14 -36.53 3.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.17 -6.27 10.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.562 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -45.96 120.1 5.18 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.929 2.092 . . . . 0.0 112.009 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.13 158.83 0.29 Allowed 'Trans proline' 0 CA--C 1.539 0.749 1 C-N-CA 125.697 4.264 . . . . 0.0 115.302 172.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -55.2 142.71 30.23 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.04 50.65 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 127.153 2.181 . . . . 0.0 109.746 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.3 p -51.03 141.06 14.55 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.046 1.738 . . . . 0.0 113.474 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -119.37 -21.34 7.51 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -169.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 138.4 -7.68 3.41 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.854 1.216 . . . . 0.0 114.78 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -134.6 14.88 3.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.666 1.986 . . . . 0.0 113.342 -171.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -151.44 128.25 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.046 1.738 . . . . 0.0 110.236 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -146.26 30.82 1.02 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.653 1.581 . . . . 0.0 111.333 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.4 m -131.35 147.52 52.58 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.259 1.423 . . . . 0.0 111.457 -169.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.484 1.914 . . . . 0.0 111.16 178.924 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -142.85 141.98 31.7 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.008 1.323 . . . . 0.0 111.294 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -82.6 79.4 9.03 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.736 1.214 . . . . 0.0 111.475 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.5 p -152.34 178.32 9.65 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.332 1.053 . . . . 0.0 112.793 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t -70.06 1.77 4.29 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -174.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 117.41 10.66 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 119.799 -1.813 . . . . 0.0 109.704 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.57 79.22 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.816 1.198 . . . . 0.0 115.191 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -129.11 -21.69 3.25 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.5 m -56.94 127.54 32.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.395 0.998 . . . . 0.0 113.256 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m 53.25 38.96 28.96 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.857 2.063 . . . . 0.0 113.957 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.36 -19.24 65.4 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.89 143.48 14.97 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.144 1.354 . . . . 0.0 113.543 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.82 137.61 51.95 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.026 1.331 . . . . 0.0 114.393 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -167.87 98.17 0.46 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.401 2.28 . . . . 0.0 106.523 169.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -59.33 -11.1 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -169.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -75.36 -18.05 60.07 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.76 149.53 47.88 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.093 . . . . 0.0 112.073 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -62.91 -27.5 69.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.1 t -132.23 132.18 42.84 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.334 1.054 . . . . 0.0 110.583 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -87.52 67.98 9.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 168.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.9 m -79.29 53.05 1.42 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.279 1.432 . . . . 0.0 108.92 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -149.82 -179.5 7.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 115.498 -168.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.04 -13.71 62.19 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.299 2.24 . . . . 0.0 116.88 -174.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.45 0.51 11.63 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.114 1.325 . . . . 0.0 113.338 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -63.53 -32.42 73.88 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -71.65 -29.14 64.29 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 112.529 -174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.82 -17.8 64.56 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.391 1.877 . . . . 0.0 113.043 169.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.21 -2.37 14.93 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.933 1.693 . . . . 0.0 113.799 173.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 49.37 38.82 14.86 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.393 1.877 . . . . 0.0 113.703 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 p -127.96 17.7 6.71 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.376 1.471 . . . . 0.0 114.264 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.6 m -61.35 164.33 5.66 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.257 1.423 . . . . 0.0 114.002 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.33 155.71 0.48 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.848 1.259 . . . . 0.0 113.533 168.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 m -51.02 -28.32 9.8 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.858 2.063 . . . . 0.0 115.227 -174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -139.01 32.11 2.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.117 1.367 . . . . 0.0 112.252 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -34.89 -50.96 0.5 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.156 2.183 . . . . 0.0 115.931 -171.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -11.85 53.79 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.57 -31.51 4.28 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.478 1.111 . . . . 0.0 113.471 170.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.95 -37.17 17.84 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.95 -10.32 9.11 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -40.25 109.21 0.57 Allowed Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.699 1.999 . . . . 0.0 113.675 -170.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.91 157.82 7.38 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 124.555 3.503 . . . . 0.0 114.616 172.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.92 119.2 8.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.713 0.805 . . . . 0.0 111.365 174.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.7 t -70.17 140.77 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.559 1.143 . . . . 0.0 110.495 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -73.69 53.27 0.43 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.259 1.824 . . . . 0.0 112.521 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.94 -33.84 72.44 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.814 1.646 . . . . 0.0 114.206 -170.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 142.48 -28.97 2.17 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.0 1.286 . . . . 0.0 113.987 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -128.26 10.05 6.24 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.202 1.801 . . . . 0.0 113.144 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -152.56 146.37 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 128.22 2.608 . . . . 0.0 108.714 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -164.87 -43.75 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.53 1.132 . . . . 0.0 113.276 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 t -140.23 21.1 2.42 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.38 1.072 . . . . 0.0 113.231 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 C--O 1.251 1.139 0 C-N-CA 127.048 2.139 . . . . 0.0 111.514 -177.328 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.486 0.184 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -69.92 163.65 25.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.701 1.2 . . . . 0.0 113.429 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -71.0 79.27 0.65 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.283 1.433 . . . . 0.0 111.926 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.6 t -69.55 161.3 29.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.831 0.824 . . . . 0.0 111.12 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t -119.91 -5.75 10.08 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.502 1.521 . . . . 0.0 113.856 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -69.71 90.57 0.59 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.59 1.156 . . . . 0.0 112.14 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.05 -2.55 5.15 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 126.784 2.135 . . . . 0.0 114.902 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -134.11 -30.53 1.19 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -170.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 m -48.66 145.77 3.47 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -169.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m 67.7 24.01 8.5 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.652 1.581 . . . . 0.0 112.471 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.53 -18.64 64.04 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.617 -1.302 . . . . 0.0 114.434 171.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.69 155.93 11.25 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.554 1.55 . . . . 0.0 113.643 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -70.03 135.18 49.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.437 1.495 . . . . 0.0 113.124 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -161.01 84.65 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.52 1.528 . . . . 0.0 109.717 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -58.76 -12.15 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.81 -22.94 65.15 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.772 1.229 . . . . 0.0 114.14 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -93.56 157.27 16.28 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -169.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -61.34 -22.25 64.75 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.65 1.98 . . . . 0.0 115.245 -170.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 p -138.26 143.99 40.32 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.951 0.9 . . . . 0.0 110.458 169.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -97.26 70.47 2.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.0 m -74.43 46.88 0.28 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.549 1.54 . . . . 0.0 110.556 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.3 -179.63 7.52 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.696 1.999 . . . . 0.0 114.428 -168.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.48 -19.04 65.32 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.446 2.299 . . . . 0.0 116.643 -171.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -110.65 4.08 19.85 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.76 1.224 . . . . 0.0 113.265 -171.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 p -59.79 -37.29 78.7 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.4 p -75.64 -29.0 59.01 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.758 0.823 . . . . 0.0 112.851 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -63.42 -21.83 66.52 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.623 1.569 . . . . 0.0 112.914 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -107.98 1.56 22.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.537 1.535 . . . . 0.0 113.719 172.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 47.07 36.95 4.63 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.949 1.7 . . . . 0.0 113.257 -172.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -125.96 20.26 7.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.265 1.426 . . . . 0.0 113.898 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 m -53.99 165.09 0.51 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.954 1.301 . . . . 0.0 113.283 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 155.22 1.64 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.468 -0.77 . . . . 0.0 112.507 173.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.8 p -53.48 -25.91 18.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.153 1.381 . . . . 0.0 114.499 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -141.44 38.45 1.7 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.764 1.226 . . . . 0.0 112.164 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 37.4 t80 -34.38 -51.11 0.45 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.386 1.875 . . . . 0.0 114.147 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -12.08 59.34 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.72 -15.85 7.35 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -120.02 -19.48 7.81 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.2 m -123.04 -13.62 7.75 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -47.43 113.96 2.81 Favored Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 127.275 2.23 . . . . 0.0 113.581 -172.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.2 129.76 29.79 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.689 2.926 . . . . 0.0 112.088 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -70.65 140.23 51.51 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.387 0.675 . . . . 0.0 110.794 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.2 m -143.67 162.52 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.596 1.559 . . . . 0.0 111.981 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.4 m -57.09 124.21 17.95 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.836 1.254 . . . . 0.0 111.015 173.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.55 164.22 38.61 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.347 1.459 . . . . 0.0 111.547 -174.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.31 16.72 58.21 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.311 1.434 . . . . 0.0 113.962 170.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -149.97 178.44 8.92 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.891 2.476 . . . . 0.0 109.176 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.7 m -122.82 149.68 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.904 -1.123 . . . . 0.0 113.157 -175.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -149.89 130.0 13.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.161 1.784 . . . . 0.0 109.669 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.7 p -144.29 167.07 23.32 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.426 1.49 . . . . 0.0 112.236 -171.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.4 mtp . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.119 1.768 . . . . 0.0 113.628 -178.747 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.233 0.063 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -141.56 166.7 24.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.5 1.52 . . . . 0.0 111.685 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -136.99 170.98 15.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.177 1.791 . . . . 0.0 110.393 171.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.2 p -136.8 165.79 25.11 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.397 1.079 . . . . 0.0 112.529 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.16 0.85 39.06 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 117.375 2.361 . . . . 0.0 117.375 -169.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -69.16 113.34 6.43 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.339 -1.476 . . . . 0.0 110.581 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.94 15.57 74.71 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.297 1.427 . . . . 0.0 114.955 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -133.73 -24.19 1.75 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.6 m -48.89 126.13 11.63 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.846 1.203 . . . . 0.0 113.896 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 67.07 31.04 7.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.516 1.927 . . . . 0.0 113.817 -176.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.72 -15.73 61.88 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.14 126.76 4.62 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.168 1.366 . . . . 0.0 111.969 -169.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.68 149.36 48.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.172 1.389 . . . . 0.0 113.998 -172.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -163.42 114.08 1.38 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.135 2.574 . . . . 0.0 105.544 168.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.6 -14.03 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.55 -16.99 60.2 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.46 156.57 38.65 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.05 0.94 . . . . 0.0 111.253 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -77.32 -9.52 58.88 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 p -143.79 149.5 37.15 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.687 1.995 . . . . 0.0 107.331 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -109.2 64.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 169.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.3 42.36 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.522 1.929 . . . . 0.0 111.743 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -149.36 169.23 21.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.06 2.144 . . . . 0.0 113.25 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.67 -36.84 62.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.493 2.317 . . . . 0.0 116.244 -170.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.6 mt -85.06 -1.74 57.18 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -172.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p -62.26 -34.97 77.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 m -63.87 -28.15 69.65 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.004 0.922 . . . . 0.0 113.287 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.76 -14.57 62.84 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.077 1.751 . . . . 0.0 113.424 173.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -117.38 -18.24 9.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.426 1.49 . . . . 0.0 114.204 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 60.21 5.98 0.92 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.611 2.364 . . . . 0.0 115.425 -172.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m -75.42 -0.65 20.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.677 1.991 . . . . 0.0 114.8 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -50.64 162.21 0.27 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.961 2.504 . . . . 0.0 117.385 -169.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -50.42 136.73 20.05 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.692 0.797 . . . . 0.0 110.817 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -62.42 -8.25 5.78 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -169.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -138.07 25.11 2.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.241 1.416 . . . . 0.0 112.624 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.404 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 51.2 t80 -33.51 -50.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.045 2.138 . . . . 0.0 115.267 -177.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 p -63.67 -12.7 36.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -27.7 5.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.894 1.278 . . . . 0.0 113.155 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -91.46 -44.35 9.17 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -9.05 9.48 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -42.84 112.79 1.21 Allowed Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 127.803 2.441 . . . . 0.0 112.157 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.57 166.49 29.68 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.424 3.416 . . . . 0.0 111.921 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.92 146.61 54.51 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.932 0.893 . . . . 0.0 112.861 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.0 t -143.82 135.24 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.092 1.757 . . . . 0.0 109.471 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -82.35 153.52 25.73 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.968 0.907 . . . . 0.0 113.194 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.64 -27.64 67.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.034 1.334 . . . . 0.0 112.125 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.51 -24.71 10.22 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.296 1.903 . . . . 0.0 112.569 -173.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -150.43 123.96 9.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.314 1.845 . . . . 0.0 109.999 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.71 148.89 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.804 1.642 . . . . 0.0 109.794 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -66.01 -26.37 67.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -158.91 154.57 26.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.98 1.312 . . . . 0.0 111.789 170.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.8 ttm . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.628 1.971 . . . . 0.0 111.103 173.157 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -136.62 79.73 1.78 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.137 1.375 . . . . 0.0 110.348 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -71.15 171.59 10.72 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.696 1.598 . . . . 0.0 112.445 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.6 p -144.29 175.17 10.29 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.305 1.042 . . . . 0.0 113.156 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 8.3 t -72.55 -7.55 50.67 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -69.74 91.07 0.61 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.443 1.474 . . . . 0.0 111.446 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.77 3.4 8.42 Favored Glycine 0 CA--C 1.543 1.811 0 C-N-CA 126.742 2.115 . . . . 0.0 114.545 -171.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -132.1 -35.04 1.23 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 -169.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -46.15 130.86 10.31 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 67.92 27.7 7.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.123 2.169 . . . . 0.0 113.598 -171.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -21.35 64.32 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.148 -1.595 . . . . 0.0 114.744 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.17 153.09 29.2 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.054 1.311 . . . . 0.0 112.81 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.56 136.83 49.58 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -164.7 89.87 0.52 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.506 1.922 . . . . 0.0 108.789 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.263 3.1 p -58.89 -8.21 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -169.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.3 -28.48 66.31 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.909 -1.12 . . . . 0.0 113.097 169.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -72.28 154.23 41.09 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.5 1.12 . . . . 0.0 113.721 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.98 -23.59 66.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.397 1.879 . . . . 0.0 114.503 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 p -137.39 147.88 45.79 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.454 1.102 . . . . 0.0 110.095 169.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -102.45 66.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 168.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.1 m -72.67 47.9 0.19 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.649 1.98 . . . . 0.0 110.85 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -150.19 -179.82 7.5 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.439 1.896 . . . . 0.0 114.273 -168.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.42 -20.05 66.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -172.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.8 mt -104.35 -11.3 17.21 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.171 1.35 . . . . 0.0 114.142 -170.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 p -60.05 -28.41 67.76 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -63.99 -20.82 66.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.035 1.334 . . . . 0.0 113.08 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -92.46 -44.91 8.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.398 . . . . 0.0 111.627 169.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -73.15 -9.25 58.52 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 55.78 39.67 30.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.258 1.823 . . . . 0.0 113.211 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.2 p -130.28 14.65 5.61 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.893 1.677 . . . . 0.0 114.943 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.78 161.58 7.81 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 157.6 10.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.306 1.042 . . . . 0.0 111.594 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.6 p -57.3 -22.62 43.07 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -169.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -140.5 32.56 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.67 1.188 . . . . 0.0 112.365 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.415 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 63.0 t80 -29.82 -56.11 0.17 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.679 2.392 . . . . 0.0 116.01 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -10.27 51.51 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -30.19 4.58 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -104.81 -24.71 12.86 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 2.8 m -120.84 -9.06 9.35 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -175.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -38.51 105.38 0.34 Allowed Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 126.969 2.107 . . . . 0.0 113.349 -169.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -79.05 -169.46 0.8 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.475 3.45 . . . . 0.0 112.147 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 150.9 2.03 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.75 1.22 . . . . 0.0 112.9 172.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.3 t -131.12 142.22 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.014 1.726 . . . . 0.0 110.419 -174.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.3 p -142.4 170.12 16.3 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.009 1.324 . . . . 0.0 111.88 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -14.19 53.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.106 1.762 . . . . 0.0 114.137 171.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.31 -48.32 2.8 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.871 1.7 . . . . 0.0 113.243 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.2 -19.56 60.49 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.6 m -148.69 160.87 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 128.321 2.648 . . . . 0.0 110.77 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -74.72 -13.76 60.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 m -58.36 145.99 36.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.931 1.292 . . . . 0.0 111.079 172.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 124.715 1.206 . . . . 0.0 113.414 174.559 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 110.649 -0.13 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -139.35 172.51 12.72 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.345 1.858 . . . . 0.0 111.37 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -143.71 140.04 29.8 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.655 1.182 . . . . 0.0 111.662 -174.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.4 t -70.52 150.27 46.3 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.706 1.202 . . . . 0.0 114.099 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 28.3 t -76.38 -7.39 54.92 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 170.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -68.81 104.09 1.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.715 1.143 . . . . 0.0 112.097 -168.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.14 -4.09 20.41 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 126.246 1.879 . . . . 0.0 114.906 -173.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -131.45 -28.51 1.86 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -169.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -38.16 124.61 1.22 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 66.91 27.73 8.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.616 2.367 . . . . 0.0 114.064 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -67.32 -15.07 63.48 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.6 138.14 10.12 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.11 1.338 . . . . 0.0 110.416 -168.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.4 ' CZ ' ' CE2' ' A' ' 28' ' ' TYR . 74.9 t80 -69.62 142.35 53.51 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.397 1.079 . . . . 0.0 113.669 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -156.08 94.31 1.51 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.842 1.657 . . . . 0.0 109.4 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.91 -13.49 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.72 -27.63 65.13 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -71.22 151.86 43.9 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -60.48 -28.57 68.45 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.495 1.518 . . . . 0.0 114.0 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.6 145.13 50.27 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.685 0.755 . . . . 0.0 110.745 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -100.31 65.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 168.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -67.15 38.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 127.341 2.256 . . . . 0.0 112.781 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -151.2 166.39 31.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.371 1.868 . . . . 0.0 113.071 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.46 -38.71 55.11 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.496 2.318 . . . . 0.0 116.085 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.97 -8.43 56.93 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 p -57.65 -27.71 63.07 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -63.68 -9.81 15.93 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.697 1.599 . . . . 0.0 114.2 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -111.17 -6.96 14.5 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.837 2.055 . . . . 0.0 112.582 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' CE2' ' CZ ' ' A' ' 13' ' ' PHE . 50.8 m-85 -120.08 -7.98 9.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 53.71 31.0 12.02 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.576 1.55 . . . . 0.0 113.761 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.1 m -127.74 21.11 6.5 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.268 1.827 . . . . 0.0 112.329 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.86 167.11 14.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.45 1.5 . . . . 0.0 114.3 -176.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.68 148.13 35.05 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.796 -0.565 . . . . 0.0 110.024 168.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -57.84 -23.04 50.94 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.549 1.54 . . . . 0.0 115.088 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.46 35.07 3.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 111.38 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 64.9 t80 -42.18 -52.37 4.39 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 p -65.31 -11.52 42.59 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.17 -25.25 5.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.743 1.217 . . . . 0.0 113.797 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -120.43 -20.56 7.16 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 2.7 m -120.92 -17.2 7.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -174.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -50.36 118.08 8.88 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.421 1.888 . . . . 0.0 112.567 -169.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -46.94 145.93 6.5 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 125.017 3.811 . . . . 0.0 114.387 172.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -76.24 82.87 3.03 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.005 0.922 . . . . 0.0 111.075 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.71 142.64 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.294 1.438 . . . . 0.0 111.147 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.6 p -130.53 30.45 4.69 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.548 1.539 . . . . 0.0 112.897 -176.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -62.75 -23.29 67.12 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.942 2.097 . . . . 0.0 115.059 -174.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.82 14.35 63.17 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.562 1.077 . . . . 0.0 113.81 -171.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -141.92 28.7 1.73 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.038 1.735 . . . . 0.0 111.752 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.64 159.05 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.098 1.759 . . . . 0.0 110.738 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -98.47 0.16 44.63 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -174.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -81.49 4.29 21.71 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.707 1.603 . . . . 0.0 114.128 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.3 ptm . . . . . 0 C--O 1.254 1.292 0 C-N-CA 126.788 2.035 . . . . 0.0 113.232 -174.673 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -136.55 164.88 27.16 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.284 1.434 . . . . 0.0 111.917 -169.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -140.32 167.79 21.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.987 1.715 . . . . 0.0 111.221 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.6 p -69.93 165.23 22.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.54 1.136 . . . . 0.0 113.448 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 t -67.84 -0.42 4.2 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -69.12 120.51 15.07 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.124 -1.61 . . . . 0.0 110.897 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.09 12.53 84.28 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.282 1.42 . . . . 0.0 115.191 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -133.33 -26.75 1.63 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -49.1 132.51 19.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.613 1.097 . . . . 0.0 113.906 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m 62.64 27.94 16.39 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.029 2.132 . . . . 0.0 114.029 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.16 -19.92 65.98 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.22 151.06 7.88 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 124.944 1.259 . . . . 0.0 111.86 -169.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.25 138.78 54.24 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.167 -1.196 . . . . 0.0 112.765 -169.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -148.43 102.43 3.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.434 1.493 . . . . 0.0 107.277 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -50.73 -24.04 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 126.58 1.952 . . . . 0.0 114.78 -169.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.67 -21.57 55.22 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.72 150.2 47.2 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.414 1.085 . . . . 0.0 113.211 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.84 -38.27 86.09 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.389 1.476 . . . . 0.0 112.335 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.47 167.24 10.61 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.345 1.058 . . . . 0.0 108.634 168.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -125.07 69.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 169.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.9 m -73.32 38.48 0.09 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.288 1.835 . . . . 0.0 112.293 -171.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -144.57 177.7 8.49 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.28 -30.96 67.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.669 1.988 . . . . 0.0 115.784 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.6 mt -92.6 -0.72 57.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.121 0.968 . . . . 0.0 113.267 -173.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.7 p -63.19 -30.28 71.46 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -70.01 -31.61 69.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.057 0.943 . . . . 0.0 112.783 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -63.22 -22.65 67.0 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.444 1.097 . . . . 0.0 113.099 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -107.83 -12.06 15.26 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.951 1.3 . . . . 0.0 114.185 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 53.56 41.63 32.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.825 1.65 . . . . 0.0 112.685 -169.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.1 m -122.39 17.6 10.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.369 1.468 . . . . 0.0 113.845 -172.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 m -58.78 163.75 3.18 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.797 1.639 . . . . 0.0 115.242 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.19 151.67 12.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.541 1.136 . . . . 0.0 111.057 168.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.5 p -60.99 -18.92 60.3 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -172.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -133.38 30.93 3.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.91 1.684 . . . . 0.0 111.717 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -36.93 -53.25 0.95 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.417 1.887 . . . . 0.0 115.308 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 p -65.9 -12.19 52.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.35 -15.65 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.711 1.604 . . . . 0.0 113.919 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -120.28 -31.52 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.51 -25.32 5.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 120.27 1.396 . . . . 0.0 113.173 -169.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -37.27 101.51 0.22 Allowed Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 128.777 2.831 . . . . 0.0 113.101 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -62.5 16.31 0.05 OUTLIER 'Trans proline' 0 CA--C 1.544 0.978 1 C-N-CA 125.675 4.25 . . . . 0.0 119.515 -174.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -163.94 136.59 5.1 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.199 2.199 . . . . 0.0 110.452 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.08 40.39 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.207 1.003 . . . . 0.0 111.483 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 m -59.92 128.77 38.5 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.409 1.484 . . . . 0.0 111.476 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -135.2 4.98 3.24 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.362 1.465 . . . . 0.0 114.457 -175.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.43 0.23 89.36 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.642 1.115 . . . . 0.0 115.218 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -139.66 17.57 2.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.966 1.706 . . . . 0.0 112.186 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.0 p -157.27 160.51 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.928 2.091 . . . . 0.0 110.28 -172.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -57.62 157.83 6.68 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.554 1.142 . . . . 0.0 113.301 175.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.4 p -77.21 13.94 1.03 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.022 1.729 . . . . 0.0 115.471 -172.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.0 ttp . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.694 1.598 . . . . 0.0 111.38 176.089 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 110.844 -0.058 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -133.63 166.63 22.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.336 1.455 . . . . 0.0 111.519 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.02 179.56 7.78 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.337 1.455 . . . . 0.0 112.937 -169.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.6 t -140.58 146.36 37.91 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.91 1.284 . . . . 0.0 111.408 174.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.4 t -76.25 -5.02 45.08 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 79.96 0.39 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.73 1.212 . . . . 0.0 111.964 -170.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.74 -0.8 4.21 Favored Glycine 0 CA--C 1.544 1.845 0 C-N-CA 127.006 2.241 . . . . 0.0 115.104 -171.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -131.15 -27.26 2.04 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -45.81 128.83 9.08 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -170.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 55.86 33.69 22.06 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.252 2.221 . . . . 0.0 113.832 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.96 -22.85 64.84 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.429 -1.419 . . . . 0.0 114.379 170.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.7 137.84 7.06 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 127.014 2.245 . . . . 0.0 110.785 -172.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.09 140.21 54.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.801 0.81 . . . . 0.0 111.525 -173.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -160.73 103.16 1.34 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.988 1.715 . . . . 0.0 107.424 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.19 -16.2 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -171.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -68.21 -23.56 64.83 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.52 149.45 48.22 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.094 0.958 . . . . 0.0 112.17 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -59.08 -30.07 67.81 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -127.66 144.67 51.06 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.139 0.975 . . . . 0.0 110.94 169.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -96.29 65.58 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 167.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.91 33.48 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.631 2.373 . . . . 0.0 111.563 171.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -141.19 174.87 10.12 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 -167.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.74 -8.99 12.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.961 2.505 . . . . 0.0 116.582 -169.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -120.09 4.57 10.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.581 1.552 . . . . 0.0 113.258 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 p -58.58 -36.95 74.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -169.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.7 t -64.75 -39.66 93.99 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.867 0.867 . . . . 0.0 111.813 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.76 -13.4 23.1 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.868 1.667 . . . . 0.0 114.175 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.82 -0.35 13.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.463 1.505 . . . . 0.0 113.959 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 46.29 35.07 2.48 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.565 1.546 . . . . 0.0 113.227 -172.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 m -124.55 18.65 8.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.394 1.478 . . . . 0.0 114.035 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -58.44 160.21 5.56 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.757 1.223 . . . . 0.0 113.918 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -57.96 161.14 4.17 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.404 1.082 . . . . 0.0 111.507 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.8 p -55.61 -25.11 36.88 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -172.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.13 40.77 1.37 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.684 1.194 . . . . 0.0 112.213 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.445 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 65.3 t80 -39.83 -54.1 2.17 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.095 1.758 . . . . 0.0 114.81 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -13.84 61.05 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.37 -21.68 6.79 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -120.1 -20.27 7.48 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 1.9 m -120.94 -13.92 8.54 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -42.58 110.61 0.87 Allowed Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 127.254 2.222 . . . . 0.0 113.958 -169.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.14 -176.62 0.07 OUTLIER 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 125.042 3.828 . . . . 0.0 115.426 170.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -41.52 130.65 3.07 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.3 1.84 . . . . 0.0 114.824 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.27 151.8 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.694 1.598 . . . . 0.0 110.324 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 m -48.01 136.26 11.67 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.717 2.007 . . . . 0.0 113.512 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -149.57 171.29 16.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.262 1.425 . . . . 0.0 111.739 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.96 14.08 21.99 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.388 1.47 . . . . 0.0 114.955 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -144.58 154.41 42.82 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.792 2.037 . . . . 0.0 109.896 178.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.14 161.74 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.298 1.039 . . . . 0.0 112.245 -169.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.09 -171.9 1.94 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.952 1.701 . . . . 0.0 111.865 -177.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 p -67.82 -13.79 62.42 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.284 1.434 . . . . 0.0 114.845 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.529 1.932 . . . . 0.0 113.262 176.675 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -150.13 148.91 29.54 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.344 1.457 . . . . 0.0 110.449 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.58 133.18 47.31 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.571 -0.705 . . . . 0.0 111.925 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.7 t -147.95 152.73 38.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.854 1.662 . . . . 0.0 109.324 169.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 4.2 t -86.9 18.38 3.55 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -169.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -69.69 97.33 1.05 Allowed 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.358 -1.464 . . . . 0.0 111.201 -169.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.99 48.11 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.544 1.545 . . . . 0.0 114.666 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -129.37 -20.04 3.38 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -53.91 15.48 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.929 3.677 . . . . 0.0 120.929 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.6 p -142.28 15.6 2.04 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.763 2.825 . . . . 0.0 111.681 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.07 -15.56 45.9 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -171.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.22 143.34 13.62 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.449 1.5 . . . . 0.0 113.925 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -72.79 134.62 45.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.473 1.509 . . . . 0.0 114.221 -172.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -158.48 99.17 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.791 2.036 . . . . 0.0 106.723 169.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.56 -12.88 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -169.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.08 -18.07 60.87 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.22 152.6 44.87 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 121.032 -1.043 . . . . 0.0 112.39 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -63.95 -23.71 67.45 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.764 1.625 . . . . 0.0 113.993 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 p -137.81 158.45 44.32 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.27 1.828 . . . . 0.0 108.307 168.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -111.36 65.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m -72.95 50.06 0.25 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.185 2.194 . . . . 0.0 110.388 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -149.27 166.64 28.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.309 1.444 . . . . 0.0 112.633 -169.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.91 -23.36 53.04 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.4 mt -99.08 0.42 43.6 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 5.1 p -58.72 -21.26 54.58 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -168.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -76.28 -26.2 55.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -69.56 -28.79 66.3 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.865 -1.147 . . . . 0.0 113.372 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 5.9 p90 -120.8 14.07 11.61 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.653 1.581 . . . . 0.0 114.015 175.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 45.96 45.0 11.9 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.521 2.328 . . . . 0.0 116.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.9 m -131.76 25.47 4.69 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -173.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -54.52 164.13 0.78 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.513 1.525 . . . . 0.0 115.02 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.06 151.14 7.22 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.606 0.762 . . . . 0.0 111.392 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 p -59.16 -15.07 12.56 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -131.2 20.09 4.87 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.448 1.499 . . . . 0.0 113.021 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -38.48 -52.42 1.58 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -68.42 -6.51 25.05 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -32.06 4.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.773 1.629 . . . . 0.0 113.731 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -120.69 -18.63 7.66 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 2.8 m -120.49 -10.54 9.25 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.131 1.332 . . . . 0.0 114.25 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -47.9 111.16 1.61 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.254 1.821 . . . . 0.0 112.603 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.24 -178.94 4.57 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 124.184 3.256 . . . . 0.0 111.995 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -71.41 68.22 0.53 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.629 1.572 . . . . 0.0 112.713 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.14 39.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 127.423 2.289 . . . . 0.0 114.268 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -71.8 -170.5 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.129 1.772 . . . . 0.0 112.487 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -47.7 -32.46 5.79 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.46 1.904 . . . . 0.0 114.67 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.33 13.12 77.35 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.24 0.924 . . . . 0.0 114.755 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -77.98 4.16 12.87 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.882 1.273 . . . . 0.0 113.905 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.6 m -142.88 164.97 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 128.546 2.738 . . . . 0.0 110.366 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -130.16 -21.8 2.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -175.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 p -70.16 150.35 46.59 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.203 1.001 . . . . 0.0 112.271 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.5 ttp . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.214 1.805 . . . . 0.0 111.362 -178.1 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 pt20 -69.79 166.52 19.15 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.583 0.753 . . . . 0.0 112.524 169.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -144.23 154.99 43.68 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.703 1.201 . . . . 0.0 112.113 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.2 m -122.98 152.28 41.03 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.517 1.927 . . . . 0.0 110.102 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.38 -5.38 58.89 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 -169.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.86 89.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.198 0.999 . . . . 0.0 112.015 -170.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.91 4.95 12.29 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.998 2.237 . . . . 0.0 115.372 -172.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -133.21 -24.95 1.81 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.25 126.41 18.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.087 1.312 . . . . 0.0 113.556 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m 62.99 30.3 16.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.472 1.909 . . . . 0.0 113.424 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -60.29 -20.82 60.67 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.55 152.32 14.29 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.506 1.527 . . . . 0.0 113.006 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -75.72 142.2 42.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.609 1.195 . . . . 0.0 113.988 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -155.95 119.35 4.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 128.093 2.557 . . . . 0.0 104.4 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.23 -10.34 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.8 -32.25 21.88 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -73.82 147.0 43.77 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.987 0.812 . . . . 0.0 113.176 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -69.57 -31.87 70.31 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.383 1.473 . . . . 0.0 114.715 -170.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 t -107.1 110.73 22.91 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.933 0.893 . . . . 0.0 109.62 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -87.31 70.49 10.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.396 1.569 . . . . 0.0 107.325 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 36.66 0.07 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.809 2.044 . . . . 0.0 111.146 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.0 178.16 8.41 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.529 1.931 . . . . 0.0 114.4 -167.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -63.02 -20.84 65.7 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.72 1.69 23.21 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.615 1.098 . . . . 0.0 113.509 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 -33.27 74.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -64.39 -35.08 79.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.075 0.95 . . . . 0.0 112.531 -176.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -63.52 -15.74 58.78 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.361 1.865 . . . . 0.0 113.653 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.63 -9.59 10.21 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.36 1.464 . . . . 0.0 114.344 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 54.59 33.99 20.35 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.158 1.783 . . . . 0.0 113.504 -172.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.1 m -116.8 19.6 14.37 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.605 1.562 . . . . 0.0 113.231 -173.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 m -60.66 162.67 6.29 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.444 1.498 . . . . 0.0 113.516 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 147.26 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.463 1.105 . . . . 0.0 113.033 168.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -61.61 -11.34 11.0 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -136.99 27.54 2.93 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.19 1.396 . . . . 0.0 112.487 171.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -38.54 -49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.679 1.992 . . . . 0.0 114.943 -174.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -10.88 41.06 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -173.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.72 -34.61 3.54 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 113.45 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -88.35 -36.42 16.62 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.1 -12.76 9.05 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -169.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -40.93 106.87 0.44 Allowed Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 127.641 2.376 . . . . 0.0 113.488 -173.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -52.26 148.86 23.94 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 124.44 3.427 . . . . 0.0 113.438 174.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -66.53 142.73 57.41 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.912 -0.492 . . . . 0.0 111.455 171.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.59 29.79 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 125.387 1.475 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.0 t -148.42 31.6 0.82 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.004 1.321 . . . . 0.0 113.292 -172.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -121.82 158.62 28.5 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.533 1.533 . . . . 0.0 112.097 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.5 -21.8 42.8 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.151 0.881 . . . . 0.0 114.394 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -155.39 161.79 40.94 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.88 1.272 . . . . 0.0 111.844 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.07 32.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.968 1.707 . . . . 0.0 113.519 174.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -150.03 -28.8 0.24 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.01 1.724 . . . . 0.0 113.232 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -79.73 27.28 0.29 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.353 1.461 . . . . 0.0 113.482 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.8 ttp . . . . . 0 C--O 1.252 1.236 0 C-N-CA 129.087 2.955 . . . . 0.0 115.349 -177.403 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 111.338 0.125 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -140.41 157.97 44.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.22 1.408 . . . . 0.0 111.738 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -151.08 82.96 1.32 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.457 1.503 . . . . 0.0 109.726 -173.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.6 p -139.43 172.93 12.1 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.386 1.074 . . . . 0.0 113.028 -174.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.4 t -73.16 -8.34 55.34 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 -169.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -69.44 95.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.869 -1.144 . . . . 0.0 112.305 -169.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.29 0.18 14.3 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 127.084 2.278 . . . . 0.0 115.249 -173.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -133.52 -22.31 1.94 Allowed 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.96 129.09 19.96 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 57.66 23.83 9.86 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.435 2.294 . . . . 0.0 114.213 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -63.22 -24.36 67.84 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 119.849 -1.782 . . . . 0.0 114.863 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 161.15 12.49 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.79 1.662 . . . . 0.0 111.926 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.0 125.12 25.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.454 -1.027 . . . . 0.0 113.113 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -148.3 79.93 1.45 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.192 1.797 . . . . 0.0 110.338 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.56 -15.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 177.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.12 -6.43 51.17 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.97 2.108 . . . . 0.0 114.941 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -110.84 171.07 7.68 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.66 1.184 . . . . 0.0 113.199 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.94 -10.58 59.54 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.1 1.36 . . . . 0.0 114.491 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 p -139.92 149.64 43.58 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.221 1.408 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -106.53 63.53 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 169.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.7 m -68.56 43.87 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.234 2.214 . . . . 0.0 111.529 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -145.12 177.89 8.46 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -168.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.31 -18.23 57.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.599 2.36 . . . . 0.0 116.155 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -113.94 -4.5 13.25 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.693 1.197 . . . . 0.0 113.875 -169.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 p -60.11 -29.67 68.76 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -66.88 -8.52 29.7 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.53 1.532 . . . . 0.0 114.306 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -96.64 -41.66 8.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.505 1.522 . . . . 0.0 111.42 170.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -74.27 -23.59 59.14 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 65.68 1.34 1.73 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.463 2.305 . . . . 0.0 115.173 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -79.35 -0.6 33.31 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.97 1.708 . . . . 0.0 114.816 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -51.18 162.75 0.28 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 118.275 2.695 . . . . 0.0 118.275 -169.294 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.5 140.1 23.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.884 0.874 . . . . 0.0 111.256 169.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.7 p -63.21 -12.56 29.35 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -136.87 28.29 2.92 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 111.726 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 38.0 t80 -37.44 -50.04 1.06 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.95 2.1 . . . . 0.0 115.228 -173.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.53 -10.63 46.97 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.79 -39.2 2.75 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.405 1.082 . . . . 0.0 113.473 170.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.94 -34.92 32.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -118.87 -21.39 7.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -168.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -22.05 89.49 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.152 0 C-N-CA 128.767 2.827 . . . . 0.0 116.217 -169.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -84.28 -163.84 0.22 Allowed 'Trans proline' 0 CA--C 1.542 0.875 1 C-N-CA 125.383 4.055 . . . . 0.0 109.541 169.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -55.39 127.11 27.97 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.359 -0.838 . . . . 0.0 108.862 168.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG22 ' H ' ' A' ' 44' ' ' THR . 8.6 p -140.48 172.53 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.943 1.297 . . . . 0.0 111.791 -169.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.417 ' H ' HG22 ' A' ' 43' ' ' VAL . 5.2 p -54.9 137.98 44.21 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.277 1.431 . . . . 0.0 114.434 -176.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -91.67 -30.18 16.46 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.941 1.696 . . . . 0.0 112.685 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.11 -39.37 0.31 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.07 1.319 . . . . 0.0 113.579 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -140.42 4.73 2.0 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.079 1.352 . . . . 0.0 113.687 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -150.12 167.57 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 128.802 2.841 . . . . 0.0 109.552 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -136.58 -12.82 1.77 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.0 p -70.29 157.36 37.85 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.536 1.135 . . . . 0.0 112.793 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.899 1.679 . . . . 0.0 111.353 179.07 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -155.67 -179.72 8.39 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.034 1.733 . . . . 0.0 111.005 173.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -136.89 130.59 31.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.062 1.345 . . . . 0.0 110.182 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m -151.25 153.73 35.45 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.634 1.574 . . . . 0.0 111.696 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 43.5 t -78.0 -11.31 59.89 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -175.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -69.16 98.04 0.97 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.686 1.13 . . . . 0.0 111.815 -168.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.91 -8.27 6.08 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.788 2.137 . . . . 0.0 115.031 -170.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -134.4 -26.04 1.47 Allowed 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -44.49 147.26 0.6 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.6 24.44 8.54 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.235 1.814 . . . . 0.0 113.072 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.76 -12.33 61.49 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.16 131.57 7.06 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.385 1.469 . . . . 0.0 111.617 -169.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 57.3 t80 -70.24 142.77 52.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.086 1.354 . . . . 0.0 113.642 -171.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -153.08 113.16 3.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.918 1.687 . . . . 0.0 108.502 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 p -73.96 -8.51 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -171.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.35 -21.01 46.39 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -73.38 167.53 21.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.002 1.321 . . . . 0.0 113.43 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.02 -18.25 60.38 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.861 1.264 . . . . 0.0 113.482 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.6 p -141.47 150.13 41.83 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.239 1.816 . . . . 0.0 107.525 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -105.31 58.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 171.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -67.03 41.23 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 127.756 2.423 . . . . 0.0 114.239 -173.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -147.42 164.81 32.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.978 2.111 . . . . 0.0 112.768 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.54 -35.0 27.6 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.298 2.239 . . . . 0.0 116.961 -169.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -76.48 -13.94 60.07 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 p -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -172.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.2 p -68.32 -13.03 61.97 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 114.032 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -93.51 -44.2 8.35 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.447 1.499 . . . . 0.0 111.33 169.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 63.8 m-85 -75.17 -15.91 60.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 61.41 18.68 9.55 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.557 1.943 . . . . 0.0 114.844 -176.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 p -100.31 -4.96 28.15 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.689 1.995 . . . . 0.0 114.85 -170.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.64 166.58 0.9 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 117.967 2.58 . . . . 0.0 117.967 -169.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 p -52.96 148.24 8.06 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.139 0.976 . . . . 0.0 110.672 168.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -54.04 -25.71 22.81 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.991 1.717 . . . . 0.0 115.02 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.28 29.43 3.66 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.236 1.414 . . . . 0.0 112.754 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.421 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 86.4 t80 -32.49 -58.14 0.33 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -7.46 28.69 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.55 -31.56 4.27 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.294 1.438 . . . . 0.0 113.965 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -120.44 -16.62 8.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -169.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 1.8 m -120.77 1.03 10.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.6 123.49 81.41 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 125.533 1.533 . . . . 0.0 111.368 -171.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -45.13 121.24 3.51 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.579 3.519 . . . . 0.0 112.142 169.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -65.65 132.86 49.86 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -169.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.72 97.24 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.36 1.064 . . . . 0.0 108.719 170.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -63.21 162.0 12.71 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -137.5 -12.57 1.57 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.447 1.899 . . . . 0.0 113.664 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.36 13.59 60.65 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 124.57 1.081 . . . . 0.0 115.777 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -143.99 22.61 1.74 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.135 1.374 . . . . 0.0 112.677 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.2 m -138.52 150.67 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.769 1.627 . . . . 0.0 111.778 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -72.76 -24.52 60.96 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.09 0.956 . . . . 0.0 113.496 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.0 p -73.1 -15.79 61.48 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -172.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.335 1.454 . . . . 0.0 111.933 -175.92 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.504 0.192 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -149.81 174.73 12.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.939 1.695 . . . . 0.0 111.833 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -137.87 158.62 43.97 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.258 1.423 . . . . 0.0 111.503 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.5 p -151.78 169.89 21.11 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.287 1.435 . . . . 0.0 111.473 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.1 t -66.96 -9.87 43.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -66.71 101.31 0.79 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.359 0.981 . . . . 0.0 112.723 -168.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.83 28.56 73.46 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.038 1.78 . . . . 0.0 114.921 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -134.97 -36.16 0.83 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.2 m -46.87 138.86 5.94 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m 73.53 20.75 3.04 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.721 2.408 . . . . 0.0 112.738 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -62.55 -26.69 68.7 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.88 155.85 9.33 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.43 1.491 . . . . 0.0 112.94 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.03 132.96 35.4 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -158.68 102.52 1.7 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.535 1.934 . . . . 0.0 108.344 169.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.96 -10.15 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -76.98 -21.47 54.66 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -72.1 173.71 8.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.368 1.067 . . . . 0.0 113.536 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -80.23 -26.73 38.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.847 1.259 . . . . 0.0 112.778 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.58 145.82 51.44 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.432 1.11 . . . . 0.0 109.148 168.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -106.71 64.96 0.66 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -71.21 49.49 0.14 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.299 2.239 . . . . 0.0 110.74 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.36 178.41 7.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.858 1.663 . . . . 0.0 114.928 -168.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.61 -8.42 56.29 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -172.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.1 mt -120.04 -5.54 10.02 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.831 1.252 . . . . 0.0 113.516 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.8 p -59.33 -31.55 69.28 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -70.91 -31.27 67.85 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.176 -0.953 . . . . 0.0 112.618 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.6 -20.44 66.32 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.992 1.717 . . . . 0.0 112.966 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -106.57 -2.57 21.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.76 1.624 . . . . 0.0 113.78 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 48.06 36.32 6.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.479 1.912 . . . . 0.0 113.269 -171.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 p -110.31 -1.42 17.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.732 1.613 . . . . 0.0 114.977 -169.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.03 158.37 1.48 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 115.781 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.6 148.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.91 1.284 . . . . 0.0 112.952 169.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -57.03 -23.9 49.82 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.687 1.595 . . . . 0.0 114.61 -173.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -127.2 28.17 5.78 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.201 1.8 . . . . 0.0 111.501 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -44.48 -51.31 8.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.622 1.569 . . . . 0.0 114.17 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 p -67.07 -15.27 63.61 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.59 -23.36 11.86 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.995 1.318 . . . . 0.0 113.458 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.53 -51.41 2.17 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -89.22 -23.3 22.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -169.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -35.64 98.91 0.16 Allowed Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 128.802 2.841 . . . . 0.0 115.629 -169.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -79.29 -168.62 0.65 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 124.629 3.553 . . . . 0.0 109.805 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.96 136.24 58.03 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.883 -1.135 . . . . 0.0 110.291 169.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.5 m -131.39 39.19 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 125.713 1.605 . . . . 0.0 111.768 -173.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 p -132.4 159.11 40.23 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.162 1.785 . . . . 0.0 111.376 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.19 177.27 11.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.63 1.572 . . . . 0.0 112.443 -175.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.44 -81.53 0.03 OUTLIER Glycine 0 N--CA 1.469 0.853 0 C-N-CA 124.85 1.214 . . . . 0.0 110.789 171.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -137.99 16.4 2.84 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.068 1.347 . . . . 0.0 112.56 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.7 p -154.45 151.74 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 126.786 2.034 . . . . 0.0 110.16 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -133.16 -6.51 3.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.7 p -70.45 -24.85 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.284 1.034 . . . . 0.0 113.492 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 C--O 1.253 1.258 0 C-N-CA 128.698 2.799 . . . . 0.0 114.623 175.116 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -137.49 171.26 14.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.532 1.533 . . . . 0.0 110.926 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -147.61 158.91 44.21 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.435 1.094 . . . . 0.0 111.449 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.1 t -72.79 169.07 17.51 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.559 1.144 . . . . 0.0 113.302 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.6 t -120.79 16.6 11.86 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -169.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -69.08 93.98 0.63 Allowed 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.79 -1.194 . . . . 0.0 111.558 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.08 16.66 34.67 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.93 1.729 . . . . 0.0 115.365 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -127.66 -23.78 3.38 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.88 1.84 . . . . 0.0 115.844 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.3 m -52.14 142.65 15.9 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 66.69 25.43 9.81 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.904 2.081 . . . . 0.0 113.385 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.06 -15.97 63.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.32 170.48 19.03 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.609 1.576 . . . . 0.0 112.176 -169.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -100.39 134.3 43.54 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.461 -1.023 . . . . 0.0 112.181 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -157.31 92.26 1.23 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.875 1.67 . . . . 0.0 108.493 172.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -56.29 -14.87 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.68 -25.45 63.89 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -69.86 153.63 43.04 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.66 -19.08 63.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.561 1.944 . . . . 0.0 114.104 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.8 p -140.59 148.03 40.33 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.211 1.404 . . . . 0.0 109.232 168.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.84 69.5 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 167.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.5 m -70.31 42.07 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.121 1.769 . . . . 0.0 111.821 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -152.01 172.99 15.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.239 1.816 . . . . 0.0 113.607 -169.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.05 -33.48 67.27 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.941 2.096 . . . . 0.0 115.908 -169.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.27 -4.96 59.27 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 p -60.98 -30.16 70.11 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -173.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -68.94 -5.2 19.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.813 1.245 . . . . 0.0 113.785 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -100.56 -9.31 22.13 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.6 1.96 . . . . 0.0 112.446 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -120.08 -11.2 9.29 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.835 1.654 . . . . 0.0 114.675 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 57.43 31.52 20.35 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.288 1.835 . . . . 0.0 113.926 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 p -120.69 20.94 11.65 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.881 2.072 . . . . 0.0 112.976 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.8 m -57.24 175.3 0.15 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.362 2.265 . . . . 0.0 114.548 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 m -50.47 162.26 0.25 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.086 0.954 . . . . 0.0 113.172 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -56.46 -27.74 57.74 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -143.47 41.12 1.46 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.166 1.386 . . . . 0.0 112.349 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -43.55 -48.92 7.56 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.303 1.841 . . . . 0.0 115.184 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 p -66.21 -14.13 61.42 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.52 -10.24 9.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -120.1 -31.22 4.48 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.79 -21.91 6.46 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -169.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -37.47 99.45 0.18 Allowed Pre-proline 0 N--CA 1.478 0.925 0 C-N-CA 127.696 2.399 . . . . 0.0 113.074 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.77 150.03 38.74 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.414 2.743 . . . . 0.0 112.737 -169.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 23.43 49.25 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 128.767 2.827 . . . . 0.0 116.539 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -56.69 132.16 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.334 1.054 . . . . 0.0 111.859 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.1 t -159.11 175.33 13.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.834 1.254 . . . . 0.0 111.868 -171.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 -63.41 157.18 23.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.478 1.511 . . . . 0.0 113.769 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.83 37.58 1.69 Allowed Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.743 1.64 . . . . 0.0 115.008 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -142.62 9.08 1.77 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.421 1.889 . . . . 0.0 112.639 -171.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.8 m -142.81 -179.04 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 127.549 2.34 . . . . 0.0 110.376 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -137.38 164.08 29.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.678 1.191 . . . . 0.0 112.224 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.8 p -74.49 -4.6 37.76 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.292 1.837 . . . . 0.0 115.509 -172.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 ptm . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.283 1.833 . . . . 0.0 114.647 175.435 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.477 0.18 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -150.93 157.51 42.99 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.42 1.488 . . . . 0.0 110.976 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -125.56 147.18 49.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.313 1.445 . . . . 0.0 110.293 170.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.4 p -158.47 -179.58 8.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.421 1.488 . . . . 0.0 111.601 -171.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 7.7 t -66.66 -1.09 3.36 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 176.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.24 98.46 1.04 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.225 -1.547 . . . . 0.0 111.633 -169.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.85 11.82 31.57 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 126.084 1.802 . . . . 0.0 114.93 -171.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -131.47 -26.59 2.04 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 m -49.66 4.77 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 121.469 3.877 . . . . 0.0 121.469 -169.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.3 p -142.38 20.61 2.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.426 1.89 . . . . 0.0 112.112 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.91 -15.95 57.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.5 166.2 26.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.507 1.527 . . . . 0.0 113.302 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -107.4 136.12 47.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.401 1.081 . . . . 0.0 111.456 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -162.5 100.13 1.04 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.714 2.006 . . . . 0.0 105.87 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -11.85 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -169.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -74.82 -17.83 60.55 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.47 156.34 39.02 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.574 1.079 . . . . 0.0 112.716 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.97 -25.21 68.26 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.797 1.639 . . . . 0.0 113.603 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -141.6 158.42 43.86 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.837 1.255 . . . . 0.0 109.553 168.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -111.3 55.33 0.66 Allowed 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.769 1.227 . . . . 0.0 107.935 169.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.3 m -69.09 53.07 0.09 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.505 1.922 . . . . 0.0 111.552 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -154.63 169.14 24.57 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.426 2.291 . . . . 0.0 112.015 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.46 -10.61 0.26 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -117.46 -2.93 11.43 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.228 1.376 . . . . 0.0 114.597 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.4 p -69.19 -27.1 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -170.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -62.1 -29.11 70.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.379 0.991 . . . . 0.0 112.767 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -71.49 -16.7 62.36 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.05 2.14 . . . . 0.0 113.967 172.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -116.09 -15.11 11.15 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 54.29 29.66 11.14 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.136 1.774 . . . . 0.0 114.371 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 p -110.24 18.52 19.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.27 2.228 . . . . 0.0 113.057 -176.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 179.61 7.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.693 1.597 . . . . 0.0 114.858 -170.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.97 162.06 4.5 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.932 0.893 . . . . 0.0 110.277 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.7 m -57.13 -28.43 62.71 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -172.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -139.61 33.16 2.03 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.38 1.072 . . . . 0.0 113.595 -170.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -36.05 -55.31 0.77 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -175.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.8 p -65.4 -9.04 21.76 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.25 -32.19 4.2 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.373 1.469 . . . . 0.0 113.708 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.56 -20.34 7.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.49 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 2.0 m -122.44 -0.13 9.33 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -65.65 126.32 91.4 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.121 0.968 . . . . 0.0 112.731 -170.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -54.22 160.32 6.65 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 124.065 3.177 . . . . 0.0 111.468 168.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -77.85 49.83 0.81 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.77 12.89 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.532 1.933 . . . . 0.0 112.972 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -150.43 41.19 0.79 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.511 2.725 . . . . 0.0 108.882 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.37 148.55 51.85 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.49 1.916 . . . . 0.0 111.05 -169.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.14 -24.72 0.05 OUTLIER Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.766 1.174 . . . . 0.0 114.345 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -138.98 52.76 1.77 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.631 1.573 . . . . 0.0 110.901 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.8 t -135.08 148.29 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.545 1.938 . . . . 0.0 109.147 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -73.45 -8.86 57.65 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -174.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -63.37 165.06 8.13 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.897 1.279 . . . . 0.0 113.525 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 C--O 1.253 1.28 0 C-N-CA 126.014 1.725 . . . . 0.0 111.229 178.666 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 110.756 -0.09 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -146.94 142.7 27.84 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.292 1.437 . . . . 0.0 110.202 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -149.93 126.43 10.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.877 0.846 . . . . 0.0 111.8 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.5 p -138.45 -178.54 5.34 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.736 2.014 . . . . 0.0 111.901 -169.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 t -53.01 -16.94 1.21 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.333 2.653 . . . . 0.0 116.676 -169.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -69.03 97.93 0.92 Allowed 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.081 -1.012 . . . . 0.0 111.731 -168.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 32.7 76.94 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.986 1.279 . . . . 0.0 113.682 -169.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -34.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.37 153.34 43.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.18 29.15 3.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 128.456 2.702 . . . . 0.0 113.808 -175.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -20.89 60.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -173.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.41 144.93 15.07 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.592 1.568 . . . . 0.0 113.106 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -69.64 139.71 53.6 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 125.009 1.323 . . . . 0.0 114.045 -168.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -166.65 101.6 0.58 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.336 2.254 . . . . 0.0 107.009 168.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.73 -10.64 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.27 -20.66 60.78 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.54 1.136 . . . . 0.0 113.785 169.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -69.57 149.0 48.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.437 1.095 . . . . 0.0 111.635 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.13 -13.49 62.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.081 1.352 . . . . 0.0 113.516 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 p -142.23 144.05 33.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.9 1.68 . . . . 0.0 109.235 168.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -94.06 68.2 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.54 47.91 0.18 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.131 1.773 . . . . 0.0 110.45 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -154.31 179.87 8.58 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.874 1.67 . . . . 0.0 114.389 -169.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.53 -15.4 60.85 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -172.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.0 mt -111.53 1.82 17.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.993 1.269 . . . . 0.0 113.954 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 p -57.66 -36.76 72.32 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -68.57 -6.92 28.25 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.22 -13.91 27.74 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.455 1.902 . . . . 0.0 112.454 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.39 -15.98 8.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 65.62 3.66 2.52 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.572 2.349 . . . . 0.0 115.271 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 p -83.21 21.54 1.1 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.068 2.547 . . . . 0.0 113.958 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -58.52 160.34 5.52 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.901 1.68 . . . . 0.0 115.012 -176.25 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.05 155.13 8.7 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 122.976 0.51 . . . . 0.0 111.683 170.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 p -68.16 -14.05 62.68 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -170.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -137.27 15.73 3.0 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 -170.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.428 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 54.7 t80 -36.59 -62.8 0.44 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.726 2.41 . . . . 0.0 116.051 -169.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -2.73 16.12 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -172.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.65 -22.59 6.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.568 1.547 . . . . 0.0 113.32 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -120.62 -62.96 1.4 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.98 1.312 . . . . 0.0 114.052 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.53 -6.01 59.08 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -39.17 108.95 0.5 Allowed Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 127.979 2.511 . . . . 0.0 112.676 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -45.66 149.1 2.05 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.64 3.56 . . . . 0.0 114.731 171.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.05 142.6 56.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.63 1.172 . . . . 0.0 111.757 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.27 47.93 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.406 1.483 . . . . 0.0 112.378 -172.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 m -57.14 157.61 5.93 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.092 1.357 . . . . 0.0 112.077 169.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 -50.78 -24.8 3.73 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.277 2.231 . . . . 0.0 116.568 -174.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.95 21.73 22.44 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.266 0.939 . . . . 0.0 114.645 175.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -112.32 10.96 20.01 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.047 1.739 . . . . 0.0 113.135 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -153.69 142.98 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 127.301 2.241 . . . . 0.0 109.828 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -138.04 7.91 2.71 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.485 1.114 . . . . 0.0 113.79 -171.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 p -77.2 -0.64 25.89 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.643 1.577 . . . . 0.0 114.118 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.5 ttt . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.982 2.113 . . . . 0.0 111.224 -177.627 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.67 0.272 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -141.88 159.88 41.32 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.775 1.63 . . . . 0.0 110.664 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.96 162.54 27.87 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 122.294 1.045 . . . . 0.0 113.43 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.8 p -148.23 177.68 9.21 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.774 2.03 . . . . 0.0 109.126 169.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 9.9 t -70.2 -9.57 56.2 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -69.68 101.06 1.58 Allowed 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.039 -1.038 . . . . 0.0 110.697 -175.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.32 8.1 36.29 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.851 1.691 . . . . 0.0 114.988 -170.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -133.06 -38.18 0.97 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.633 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.9 m -38.7 142.96 0.17 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.325 42.3 p 70.94 38.2 1.18 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.854 2.462 . . . . 0.0 112.2 -169.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.86 -25.27 60.5 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.282 1.433 . . . . 0.0 114.429 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.7 155.44 10.16 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.407 1.003 . . . . 0.0 111.006 -168.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CE1' ' HB ' ' A' ' 15' ' ' VAL . 17.1 t80 -69.94 125.65 27.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.659 -0.907 . . . . 0.0 112.626 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -154.34 81.06 1.12 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.221 1.409 . . . . 0.0 109.23 172.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 2.3 p -56.65 -13.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -169.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.82 -22.67 65.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.919 1.288 . . . . 0.0 114.392 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -95.48 157.91 15.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -169.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.26 -26.07 68.61 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 t -136.0 135.52 39.56 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.569 0.747 . . . . 0.0 111.532 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -95.08 66.83 3.01 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 123.034 1.397 . . . . 0.0 107.256 168.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -81.22 52.3 1.78 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.198 1.799 . . . . 0.0 109.187 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -149.18 175.14 11.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.694 1.598 . . . . 0.0 114.215 -169.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.54 -23.11 65.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.945 2.098 . . . . 0.0 116.636 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -101.05 -1.64 33.68 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 120.275 1.398 . . . . 0.0 113.682 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 4.3 p -58.53 -22.03 54.12 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 -168.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -73.6 -27.03 61.08 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.57 -29.04 65.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.487 1.115 . . . . 0.0 113.344 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 25' ' ' CYS . 6.6 p90 -120.8 13.78 11.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.8 1.64 . . . . 0.0 114.126 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 45.74 48.77 11.62 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.678 2.391 . . . . 0.0 116.098 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -130.52 22.57 5.11 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -175.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.7 m -61.46 165.16 5.01 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.899 1.279 . . . . 0.0 114.42 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.68 154.54 0.67 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.761 1.225 . . . . 0.0 112.906 168.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -55.99 -20.44 16.48 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -141.71 36.33 1.62 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.97 1.308 . . . . 0.0 112.013 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 48.8 t80 -33.77 -54.84 0.46 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.086 2.155 . . . . 0.0 115.492 -177.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -11.05 58.61 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -172.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.41 -30.78 4.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.768 1.227 . . . . 0.0 114.117 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -103.72 -21.77 13.65 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 3.3 m -120.87 -28.66 4.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -21.43 91.72 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 129.525 3.13 . . . . 0.0 116.317 -169.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.87 -167.07 0.46 Allowed 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 124.541 3.494 . . . . 0.0 110.312 169.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -52.47 135.02 34.47 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.35 -0.844 . . . . 0.0 110.975 169.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -135.66 36.0 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-O 123.054 1.407 . . . . 0.0 111.547 -170.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.1 p -61.75 163.68 7.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.075 1.75 . . . . 0.0 113.198 173.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -54.27 156.04 3.42 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.621 1.568 . . . . 0.0 114.477 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.1 -2.61 89.06 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.757 1.17 . . . . 0.0 115.189 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.1 3.06 7.58 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 m -141.09 159.42 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 127.469 2.308 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -141.22 19.16 2.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.526 1.13 . . . . 0.0 112.986 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.9 m -62.03 118.09 6.84 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.8 1.24 . . . . 0.0 111.143 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.1 mtp . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.237 1.815 . . . . 0.0 111.374 -177.823 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 t0 . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -138.07 132.17 31.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.282 1.433 . . . . 0.0 110.356 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -158.61 145.39 17.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.125 0.97 . . . . 0.0 111.563 -174.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 t -156.79 -178.67 7.53 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -171.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.8 t -45.49 -27.24 0.69 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 130.107 3.363 . . . . 0.0 118.314 -169.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -68.49 100.0 1.04 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.807 1.64 . . . . 0.0 111.977 -168.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.43 15.7 75.63 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 126.368 1.937 . . . . 0.0 115.212 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -141.4 -28.68 0.65 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -169.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -58.78 141.54 52.71 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 120.826 1.648 . . . . 0.0 115.245 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 59.35 29.89 19.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.467 2.707 . . . . 0.0 113.815 -177.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.73 -14.34 60.33 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.94 129.97 5.89 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.151 1.357 . . . . 0.0 110.141 -168.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 77.0 t80 -69.14 139.74 54.69 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -150.9 112.85 4.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.39 1.876 . . . . 0.0 108.313 169.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -73.46 -6.4 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.44 -17.62 48.15 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.544 1.138 . . . . 0.0 113.999 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.68 169.23 13.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.971 1.308 . . . . 0.0 112.104 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -75.72 -51.83 11.82 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.201 -0.937 . . . . 0.0 110.302 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 p -93.46 157.56 16.15 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 167.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -115.22 69.93 0.73 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 168.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 98.9 m -70.31 38.46 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.31 1.844 . . . . 0.0 112.655 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -149.58 165.0 33.58 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.578 -1.326 . . . . 0.0 113.241 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.55 -35.67 13.84 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.797 2.439 . . . . 0.0 116.699 -169.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -80.29 -11.82 59.68 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.9 p -60.31 -27.9 67.69 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -173.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -74.66 -11.26 60.14 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.395 1.078 . . . . 0.0 113.696 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -90.33 -42.99 10.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 110.126 169.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' CD2' ' CZ ' ' A' ' 13' ' ' PHE . 49.9 m-85 -75.29 -8.85 57.76 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 177.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 56.08 39.52 30.39 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.853 1.661 . . . . 0.0 112.892 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.5 p -124.23 5.14 8.49 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -52.89 159.35 1.16 Allowed 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 11.3 m -39.9 156.28 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.346 1.859 . . . . 0.0 115.581 173.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 m -54.53 -27.09 35.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.046 1.338 . . . . 0.0 113.775 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.49 24.45 3.18 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.385 1.474 . . . . 0.0 113.387 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -36.25 -54.46 0.81 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.736 2.015 . . . . 0.0 115.825 -170.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 p -70.35 -10.38 58.86 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.21 -14.23 11.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.448 1.499 . . . . 0.0 112.985 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -120.64 -72.01 0.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.542 1.537 . . . . 0.0 112.786 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 m -74.81 -21.81 59.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -168.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -29.87 95.37 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 129.011 2.924 . . . . 0.0 114.149 -172.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.86 44.19 1.4 Allowed 'Trans proline' 0 CA--C 1.548 1.223 1 C-N-CA 125.929 4.419 . . . . 0.0 114.475 -169.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -140.84 35.26 1.77 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.641 1.976 . . . . 0.0 111.131 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.3 t -134.29 138.99 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 127.201 2.2 . . . . 0.0 108.984 -172.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -140.45 28.89 2.0 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.618 1.167 . . . . 0.0 112.877 -174.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -144.74 164.75 30.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.509 2.323 . . . . 0.0 111.082 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.63 14.3 59.17 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.306 1.431 . . . . 0.0 112.585 169.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -154.37 141.49 19.4 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.993 2.117 . . . . 0.0 110.631 -172.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.8 t -55.98 143.23 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.015 1.726 . . . . 0.0 112.842 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -144.02 178.9 7.54 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.892 1.677 . . . . 0.0 111.625 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.0 p -58.11 147.89 28.39 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.765 1.226 . . . . 0.0 113.851 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 C--O 1.251 1.151 0 C-N-CA 126.275 1.83 . . . . 0.0 112.794 -174.256 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 110.548 -0.168 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -69.85 143.39 52.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.501 0.72 . . . . 0.0 111.918 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -156.12 157.43 35.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.432 1.493 . . . . 0.0 110.831 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.6 p -152.16 -179.74 7.78 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.776 1.63 . . . . 0.0 111.729 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.44 -6.85 38.76 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 171.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 130.93 46.51 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 120.294 -1.504 . . . . 0.0 111.768 -168.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.54 -1.22 88.37 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 125.835 1.684 . . . . 0.0 115.681 -173.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.28 -22.37 1.76 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -169.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.2 m -45.48 143.75 1.76 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 59.51 31.05 20.74 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.32 2.248 . . . . 0.0 113.381 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.95 -20.62 65.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 161.97 22.56 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.258 1.409 . . . . 0.0 113.367 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -70.24 135.3 48.87 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.891 1.276 . . . . 0.0 113.818 -175.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -161.16 90.66 0.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.753 1.621 . . . . 0.0 109.801 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 p -62.82 -9.41 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.35 -26.48 64.7 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.945 -1.097 . . . . 0.0 113.158 169.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -76.0 149.18 37.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.33 1.052 . . . . 0.0 113.114 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.69 -15.84 63.18 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.981 1.713 . . . . 0.0 114.551 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 t -137.32 130.66 31.07 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.805 1.242 . . . . 0.0 111.072 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -87.5 73.74 9.44 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 m -81.1 47.04 0.97 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.07 1.348 . . . . 0.0 109.67 -174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -151.77 177.47 10.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.811 2.044 . . . . 0.0 114.303 -168.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.58 -20.75 63.66 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -171.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.1 mt -106.71 4.3 27.61 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.927 1.24 . . . . 0.0 113.485 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -61.11 -34.73 75.42 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -169.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.0 p -73.56 -28.87 62.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.727 0.811 . . . . 0.0 112.542 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -64.43 -17.31 63.68 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.022 1.729 . . . . 0.0 112.736 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -112.84 0.88 15.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.932 1.693 . . . . 0.0 113.79 172.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 47.35 35.52 4.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.0 1.72 . . . . 0.0 113.451 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -125.1 19.38 8.34 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.286 1.434 . . . . 0.0 113.741 -169.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.1 m -61.24 159.21 12.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.091 1.356 . . . . 0.0 113.82 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.61 151.26 2.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.916 0.887 . . . . 0.0 111.04 168.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.9 p -56.86 -17.44 9.41 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -135.58 28.95 3.28 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.475 1.91 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.472 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 62.3 t80 -42.49 -52.7 4.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.938 1.295 . . . . 0.0 114.207 -172.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 p -66.22 -9.7 34.71 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.29 -27.24 5.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.314 1.446 . . . . 0.0 113.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -120.21 -21.09 7.11 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -173.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 35' ' ' TYR . 1.4 m -120.85 -15.63 8.3 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -175.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -52.6 122.01 24.45 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.642 1.977 . . . . 0.0 112.64 -171.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.81 165.67 0.17 Allowed 'Trans proline' 0 CA--C 1.542 0.906 1 C-N-CA 125.363 4.042 . . . . 0.0 114.616 169.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.06 87.45 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.212 1.405 . . . . 0.0 113.05 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -139.63 112.19 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.616 1.966 . . . . 0.0 108.555 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.5 p -144.46 161.14 39.8 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.057 1.343 . . . . 0.0 111.926 -172.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -70.99 -35.85 72.25 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.927 0.891 . . . . 0.0 113.027 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.97 -14.85 1.94 Allowed Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.166 1.365 . . . . 0.0 114.841 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.45 28.59 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 128.112 2.565 . . . . 0.0 115.788 -173.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.8 t -126.09 90.9 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.982 1.713 . . . . 0.0 109.526 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -63.04 -16.35 59.57 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -172.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.9 p -85.17 -6.41 59.29 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.54 1.536 . . . . 0.0 114.517 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.5 mtm . . . . . 0 C--O 1.252 1.207 0 C-N-CA 124.638 1.175 . . . . 0.0 113.231 174.346 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -142.6 159.81 41.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.502 1.521 . . . . 0.0 111.303 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -140.94 166.58 24.38 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.348 1.459 . . . . 0.0 112.019 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.9 p -152.48 -179.37 7.51 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.621 1.568 . . . . 0.0 112.029 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 t -49.89 -30.56 10.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.954 1.302 . . . . 0.0 114.269 169.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -69.59 117.93 11.82 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.209 -0.932 . . . . 0.0 110.812 -169.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.01 10.16 85.22 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.705 1.145 . . . . 0.0 115.027 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -134.73 -30.31 1.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.34 125.54 9.71 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.426 1.012 . . . . 0.0 113.177 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m 64.07 28.76 14.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.403 1.881 . . . . 0.0 113.282 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.03 -15.04 61.89 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.47 7.53 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.832 1.682 . . . . 0.0 112.424 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.65 135.92 50.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.277 1.031 . . . . 0.0 112.301 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -162.24 101.95 1.1 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.766 2.027 . . . . 0.0 106.444 169.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.272 6.2 p -60.99 -8.23 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.32 -23.5 61.17 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.868 1.267 . . . . 0.0 113.79 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -69.48 146.57 51.82 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.852 1.261 . . . . 0.0 112.109 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -63.04 -27.09 69.17 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.3 t -129.51 133.65 47.36 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.45 1.1 . . . . 0.0 109.964 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -91.37 65.91 5.42 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 168.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.3 m -77.68 43.47 0.41 Allowed 'General case' 0 CA--C 1.554 1.11 0 O-C-N 120.624 -1.298 . . . . 0.0 110.188 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -142.14 164.54 29.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.995 1.718 . . . . 0.0 114.004 -169.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.39 -12.56 1.72 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.534 2.733 . . . . 0.0 117.465 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.09 -2.63 16.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.519 1.528 . . . . 0.0 113.766 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.32 -30.4 70.79 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -170.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.5 p -69.43 -26.61 64.69 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.534 -0.728 . . . . 0.0 112.388 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.89 -19.33 65.0 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.226 1.811 . . . . 0.0 112.77 169.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -108.1 -6.39 16.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.028 1.731 . . . . 0.0 114.034 173.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 51.45 37.17 18.58 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.539 1.936 . . . . 0.0 114.068 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 p -127.16 17.47 7.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.514 1.526 . . . . 0.0 114.241 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 m -61.23 170.53 1.67 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.994 1.718 . . . . 0.0 114.418 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -47.11 152.3 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.004 0.922 . . . . 0.0 112.822 169.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -50.75 -27.33 6.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.099 1.76 . . . . 0.0 114.628 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.94 18.93 5.54 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.431 1.492 . . . . 0.0 113.18 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -31.81 -58.85 0.28 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.0 2.12 . . . . 0.0 115.172 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -9.34 32.12 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -171.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.34 -27.71 5.17 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.104 1.361 . . . . 0.0 113.823 173.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -120.25 -18.77 7.91 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -120.35 -9.5 9.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 176.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -46.78 108.51 0.87 Allowed Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 127.689 2.395 . . . . 0.0 114.776 -169.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -81.73 -174.99 2.37 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 124.98 3.787 . . . . 0.0 110.877 169.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 26.08 66.54 0.06 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.94 2.496 . . . . 0.0 115.247 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 p -46.95 133.31 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.207 1.403 . . . . 0.0 114.085 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.0 p -76.98 64.06 2.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.675 1.99 . . . . 0.0 112.377 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -50.48 -39.03 47.11 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.5 1.92 . . . . 0.0 114.454 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 137.99 -29.79 2.61 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.711 1.624 . . . . 0.0 113.03 -176.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -131.65 13.61 4.92 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.113 1.765 . . . . 0.0 112.267 175.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.0 t -140.45 133.86 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 127.811 2.445 . . . . 0.0 107.437 173.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -157.28 -28.92 0.09 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.342 1.057 . . . . 0.0 113.811 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.4 m -142.14 132.97 25.69 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.358 1.463 . . . . 0.0 110.291 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.4 mtm . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.557 2.343 . . . . 0.0 111.186 -178.39 . . . . . . . . 0 0 . 1 stop_ save_