data_2ruw_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 2ruw _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 p80 . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.01 151.7 41.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.519 1.128 . . . . 0.0 110.708 169.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -116.44 7.07 13.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.318 1.847 . . . . 0.0 112.871 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -130.87 -28.52 1.98 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.838 1.655 . . . . 0.0 112.57 -172.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -134.73 4.19 3.31 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.394 1.478 . . . . 0.0 114.738 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 61.05 22.06 12.36 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.297 2.239 . . . . 0.0 116.558 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -64.28 167.37 6.81 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.589 1.156 . . . . 0.0 111.952 168.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -124.43 142.64 51.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.581 1.552 . . . . 0.0 111.796 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -133.87 147.87 51.2 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.498 1.919 . . . . 0.0 112.166 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -88.64 -4.18 58.62 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.19 140.88 21.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.111 1.365 . . . . 0.0 110.891 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.89 -31.43 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.07 -34.47 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.32 -0.863 . . . . 0.0 111.639 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -70.15 -38.52 75.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.222 0.609 . . . . 0.0 111.173 173.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.6 -46.88 88.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.452 0.701 . . . . 0.0 111.847 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.98 -37.76 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 120.999 -1.063 . . . . 0.0 111.2 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.43 -40.81 92.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.264 1.025 . . . . 0.0 112.029 171.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -63.12 -49.05 75.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.321 0.648 . . . . 0.0 111.836 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.28 -51.85 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.921 0.888 . . . . 0.0 111.143 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -69.28 -16.68 63.62 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.93 -44.17 9.05 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.318 1.047 . . . . 0.0 112.877 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.96 -24.36 15.41 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -131.2 -43.13 1.06 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -169.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 CA--C 1.553 1.09 0 C-N-CA 128.305 2.642 . . . . 0.0 114.612 179.616 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.1 p80 . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 121.088 0.47 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.5 145.78 54.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.486 1.114 . . . . 0.0 111.592 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -86.03 -28.0 24.43 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.466 1.906 . . . . 0.0 112.092 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -106.46 -30.6 8.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -167.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -128.2 5.59 5.84 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 59.37 16.85 5.4 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.574 2.35 . . . . 0.0 116.759 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -65.23 151.59 45.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.769 1.628 . . . . 0.0 111.83 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -102.96 144.52 31.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.228 1.411 . . . . 0.0 112.179 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -133.24 151.95 51.93 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.992 1.317 . . . . 0.0 113.373 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 p -82.78 -20.23 36.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.584 1.554 . . . . 0.0 114.305 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -152.48 149.77 28.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.523 1.529 . . . . 0.0 110.38 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.4 -30.63 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.492 -0.755 . . . . 0.0 112.368 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -68.42 -39.47 81.57 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.965 0.906 . . . . 0.0 111.549 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -67.14 -38.73 86.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.343 0.657 . . . . 0.0 111.28 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -61.95 -46.82 87.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.191 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.869 -1.145 . . . . 0.0 111.328 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.66 -34.53 75.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.05 0.94 . . . . 0.0 112.412 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -67.8 -52.14 40.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.063 0.545 . . . . 0.0 111.611 169.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.52 -50.61 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.881 0.872 . . . . 0.0 111.309 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -68.12 -15.45 63.59 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -96.91 -42.63 7.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.505 1.122 . . . . 0.0 112.672 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.61 -26.25 15.83 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -133.15 -42.99 0.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -169.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.554 1.113 0 C-N-CA 128.026 2.53 . . . . 0.0 114.432 178.47 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.2 p80 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.39 154.87 30.65 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.856 1.263 . . . . 0.0 111.93 171.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -93.89 -36.23 12.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.945 1.698 . . . . 0.0 111.971 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -97.22 -30.17 13.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -167.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -127.54 -1.75 6.16 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.009 1.324 . . . . 0.0 114.507 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.282 63.2 mttp 58.02 26.07 13.06 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.194 2.198 . . . . 0.0 116.536 169.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -66.69 154.04 41.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.374 1.87 . . . . 0.0 111.014 168.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -103.61 141.85 35.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.053 1.341 . . . . 0.0 112.58 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.89 149.13 51.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.272 1.829 . . . . 0.0 112.78 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 p -80.18 -18.66 49.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.573 1.549 . . . . 0.0 114.491 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -155.39 153.76 30.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.478 1.511 . . . . 0.0 111.166 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -63.62 -31.19 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.56 -35.01 75.0 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.359 -0.838 . . . . 0.0 111.928 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.75 -37.93 79.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.761 0.709 . . . . 0.0 111.657 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.52 -48.03 81.31 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.166 0.587 . . . . 0.0 112.213 170.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.24 -38.88 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.799 -1.188 . . . . 0.0 111.143 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.4 -34.8 75.97 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 112.444 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -68.46 -51.6 41.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.216 0.606 . . . . 0.0 111.703 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.6 mt -55.52 -50.46 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.881 0.873 . . . . 0.0 111.205 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -67.88 -13.04 61.82 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -99.72 -42.62 6.78 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.669 1.188 . . . . 0.0 112.645 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.63 -26.39 15.23 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -170.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -131.99 -41.54 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -169.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t0 . . . . . 0 CA--C 1.552 1.047 0 C-N-CA 128.966 2.906 . . . . 0.0 115.189 175.708 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.9 p80 . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.99 138.18 57.91 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.415 1.102 . . . . 0.0 111.481 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.21 -24.1 47.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.465 1.506 . . . . 0.0 111.604 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -108.68 -31.2 7.83 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.647 1.579 . . . . 0.0 114.456 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.89 4.24 3.82 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 60.35 15.66 5.61 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -61.69 148.29 43.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.968 1.307 . . . . 0.0 110.873 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -102.61 137.33 40.98 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.464 1.106 . . . . 0.0 112.787 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -134.91 133.71 39.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.794 1.637 . . . . 0.0 112.349 -175.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.44 -15.92 60.89 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -140.14 142.2 36.02 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 111.211 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.19 -30.36 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.407 0.683 . . . . 0.0 112.386 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.99 -39.49 93.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.118 0.967 . . . . 0.0 112.036 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -69.99 -37.52 75.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.175 0.59 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.88 -48.16 82.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.05 0.54 . . . . 0.0 111.511 169.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.92 -41.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.995 -1.066 . . . . 0.0 111.257 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.71 -38.33 90.03 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.592 0.757 . . . . 0.0 112.395 173.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -62.94 -47.1 84.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.576 0.625 . . . . 0.0 111.807 170.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.3 -52.11 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.772 0.829 . . . . 0.0 110.74 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -70.08 -12.41 61.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.8 -42.77 9.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.391 1.076 . . . . 0.0 112.877 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -25.33 14.01 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 -169.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -131.59 -38.96 1.14 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 128.389 2.676 . . . . 0.0 115.396 175.851 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 p80 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.65 142.42 52.97 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.493 1.139 . . . . 0.0 112.466 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.54 -27.13 41.29 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.328 1.851 . . . . 0.0 112.154 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -114.19 -29.81 6.83 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -168.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -126.34 6.1 7.01 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 58.48 14.79 3.17 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.687 2.395 . . . . 0.0 116.523 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -63.48 146.15 54.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.576 1.55 . . . . 0.0 111.803 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.91 141.18 28.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.657 1.183 . . . . 0.0 111.094 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.8 147.22 51.55 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.464 1.106 . . . . 0.0 113.724 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.1 p -79.86 -25.4 40.73 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.51 1.524 . . . . 0.0 114.244 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.68 149.35 28.31 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.58 1.552 . . . . 0.0 110.318 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.45 -32.07 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.504 0.722 . . . . 0.0 112.475 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.17 -39.49 78.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.131 0.972 . . . . 0.0 111.682 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -65.9 -41.68 91.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.884 0.874 . . . . 0.0 110.948 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.6 -46.88 88.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.436 1.094 . . . . 0.0 112.367 171.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.73 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.86 -1.15 . . . . 0.0 111.188 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.39 -36.6 82.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.954 0.902 . . . . 0.0 112.453 173.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -63.59 -47.71 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.273 0.629 . . . . 0.0 111.99 170.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.9 -49.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.964 0.802 . . . . 0.0 111.252 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -69.02 -14.37 63.0 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -97.06 -42.87 7.67 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.716 1.206 . . . . 0.0 113.006 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.21 -24.58 14.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -130.06 -34.04 1.71 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -170.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.25 8.2 p-10 . . . . . 0 CA--C 1.553 1.078 0 C-N-CA 128.191 2.596 . . . . 0.0 115.584 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.2 p80 . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 110.671 -0.122 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -60.42 142.81 54.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 122.381 1.086 . . . . 0.0 112.486 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.23 -27.17 61.44 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.433 1.493 . . . . 0.0 111.826 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -111.51 -30.58 7.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.12 1.368 . . . . 0.0 114.557 -169.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -130.08 1.95 4.75 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 57.52 18.63 4.69 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.091 2.156 . . . . 0.0 116.265 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -59.7 135.51 57.71 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.03 1.332 . . . . 0.0 110.902 169.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -75.24 137.46 41.25 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.653 0.781 . . . . 0.0 111.516 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.52 147.85 51.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.959 1.704 . . . . 0.0 112.813 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 p -80.37 -23.89 40.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 114.585 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -153.22 151.98 30.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.608 1.563 . . . . 0.0 110.454 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.53 -36.13 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.563 -0.71 . . . . 0.0 112.795 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.85 -32.56 63.71 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.217 0.917 . . . . 0.0 112.304 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.55 -33.23 75.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.633 0.651 . . . . 0.0 111.108 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -69.56 -40.67 76.66 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.27 -43.9 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 120.445 -1.409 . . . . 0.0 110.413 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -60.44 -32.22 71.17 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.253 1.421 . . . . 0.0 113.016 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -72.41 -47.58 48.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.146 0.978 . . . . 0.0 112.148 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.84 -45.82 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.338 1.055 . . . . 0.0 111.322 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.96 -6.6 34.25 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.59 -44.55 4.04 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.646 1.178 . . . . 0.0 112.673 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.79 -23.81 15.25 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -135.55 18.69 3.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.796 1.238 . . . . 0.0 113.536 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 CA--C 1.552 1.027 0 C-N-CA 125.474 1.51 . . . . 0.0 112.678 -171.357 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.04 150.2 48.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 111.932 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -88.61 -23.53 23.05 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.358 1.863 . . . . 0.0 112.695 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.41 -28.74 8.41 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -167.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -130.32 0.5 4.58 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.34 17.95 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.031 2.132 . . . . 0.0 115.996 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.88 159.7 8.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.735 0.814 . . . . 0.0 110.937 167.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -128.08 137.82 52.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.087 1.355 . . . . 0.0 111.909 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -133.76 150.54 51.47 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.973 1.709 . . . . 0.0 112.883 -168.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.4 p -86.82 -9.48 55.7 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.381 1.472 . . . . 0.0 114.214 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.15 140.42 21.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.099 1.36 . . . . 0.0 110.992 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.22 -29.9 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.55 0.74 . . . . 0.0 112.921 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -70.44 -38.32 74.5 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.502 -0.748 . . . . 0.0 111.338 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -65.7 -40.26 92.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.412 0.551 . . . . 0.0 111.068 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.29 -44.07 95.71 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.548 0.739 . . . . 0.0 112.357 170.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.71 -38.97 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 120.707 -1.245 . . . . 0.0 111.445 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.18 -34.55 75.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.819 0.848 . . . . 0.0 112.151 171.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -66.87 -52.38 44.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.514 0.725 . . . . 0.0 111.935 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.3 mt -56.36 -48.75 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.079 0.854 . . . . 0.0 111.355 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.72 -10.16 58.83 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.38 -42.99 5.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.635 1.174 . . . . 0.0 112.579 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.12 -25.17 17.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -171.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.1 -46.71 1.12 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.8 0.84 . . . . 0.0 113.207 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 128.503 2.721 . . . . 0.0 115.171 176.131 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p80 . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.12 141.36 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.922 1.289 . . . . 0.0 111.617 170.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -80.96 -25.92 37.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.646 1.579 . . . . 0.0 112.33 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -107.49 -30.42 8.65 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -167.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -129.36 5.03 5.2 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 59.24 16.87 5.25 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.26 2.224 . . . . 0.0 116.183 170.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.97 150.59 37.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.295 1.438 . . . . 0.0 111.188 169.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -112.84 140.25 47.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.045 1.338 . . . . 0.0 112.555 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -136.63 145.36 44.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 111.736 -171.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -85.89 -4.03 59.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.03 136.69 22.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.848 1.659 . . . . 0.0 111.48 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.26 -30.24 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.949 0.9 . . . . 0.0 112.817 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.56 -42.71 70.75 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.339 -0.85 . . . . 0.0 111.18 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -61.35 -39.15 89.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.463 0.705 . . . . 0.0 112.15 171.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.63 -45.7 92.96 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.773 -0.579 . . . . 0.0 112.068 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.27 -38.4 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.883 -1.136 . . . . 0.0 111.281 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -62.43 -36.62 82.97 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.251 1.02 . . . . 0.0 112.244 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.71 -51.22 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.621 0.646 . . . . 0.0 111.623 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.24 -51.28 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.758 0.823 . . . . 0.0 111.267 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.3 -12.73 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.16 -43.46 7.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.396 1.078 . . . . 0.0 112.661 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.1 -26.08 16.18 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -131.78 -43.04 1.0 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -170.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.554 1.117 0 C-N-CA 127.94 2.496 . . . . 0.0 114.379 177.112 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.4 p80 . . . . . 0 CA--C 1.539 0.558 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.76 144.98 55.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.156 1.382 . . . . 0.0 112.222 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -82.04 -23.08 36.09 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.079 1.752 . . . . 0.0 112.514 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -111.74 -28.31 8.15 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -132.35 2.06 3.84 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 59.75 14.73 4.29 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.184 2.194 . . . . 0.0 116.472 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -60.28 144.5 50.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.914 1.286 . . . . 0.0 111.537 169.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.91 139.31 38.64 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.902 1.281 . . . . 0.0 112.272 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -133.6 140.07 46.91 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.543 1.537 . . . . 0.0 111.966 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -74.28 -15.97 60.96 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.55 151.52 39.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.424 1.089 . . . . 0.0 112.488 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.2 -33.32 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.224 1.01 . . . . 0.0 113.15 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.98 -35.29 76.55 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.242 -0.912 . . . . 0.0 111.865 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -68.44 -36.66 79.35 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.747 0.703 . . . . 0.0 111.388 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.22 -45.42 93.43 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.954 -0.466 . . . . 0.0 111.593 169.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.51 -38.15 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.686 -1.259 . . . . 0.0 111.303 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.04 -33.28 74.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.315 1.046 . . . . 0.0 112.502 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -69.49 -51.42 36.04 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.365 0.666 . . . . 0.0 111.777 169.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.69 -50.5 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.972 0.909 . . . . 0.0 111.028 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.36 -12.36 60.01 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -176.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.16 -42.79 5.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.809 1.243 . . . . 0.0 112.773 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.34 -26.06 16.05 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -132.3 -43.01 0.95 Allowed 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -170.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.554 1.121 0 C-N-CA 128.724 2.809 . . . . 0.0 115.21 179.811 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.4 p80 . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.4 145.2 55.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.308 1.443 . . . . 0.0 111.785 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -86.23 -22.55 26.84 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.138 1.775 . . . . 0.0 112.662 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -109.15 -29.74 8.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -167.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -130.7 2.79 4.49 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 mttp 60.36 15.43 5.43 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.26 2.224 . . . . 0.0 116.412 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -61.37 160.24 11.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.699 1.199 . . . . 0.0 111.408 168.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -130.46 136.51 49.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.569 1.148 . . . . 0.0 111.824 -169.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -133.77 154.51 50.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.558 1.543 . . . . 0.0 113.302 -168.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 p -81.69 -17.75 46.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.131 1.773 . . . . 0.0 114.809 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -148.9 148.82 30.3 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 109.527 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.41 -30.18 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 111.53 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -62.45 -44.48 96.3 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.979 1.312 . . . . 0.0 111.195 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -69.85 -39.33 76.45 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.383 1.073 . . . . 0.0 111.354 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.48 -46.43 88.81 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.739 0.815 . . . . 0.0 111.781 170.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.58 -37.98 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.021 -1.05 . . . . 0.0 111.171 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.06 78.47 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.861 0.864 . . . . 0.0 111.864 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -65.63 -52.88 48.46 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.823 -0.548 . . . . 0.0 111.324 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -55.76 -49.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.213 1.005 . . . . 0.0 111.645 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -16.56 64.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -176.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -98.44 -38.96 9.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.355 1.062 . . . . 0.0 113.087 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.26 -27.76 15.34 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -169.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -136.01 -41.15 0.67 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 128.744 2.818 . . . . 0.0 115.759 179.637 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.21 140.36 58.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.125 1.37 . . . . 0.0 111.901 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -78.08 -23.08 48.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -111.63 -30.28 7.41 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -168.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -134.24 6.1 3.57 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 59.64 14.26 3.9 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 127.574 2.35 . . . . 0.0 116.883 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -61.15 151.31 31.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.205 1.802 . . . . 0.0 111.129 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.72 137.01 54.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.257 1.023 . . . . 0.0 112.922 -169.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -133.64 143.0 48.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.635 1.574 . . . . 0.0 112.277 -169.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 m -75.02 -15.3 60.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -146.23 146.38 30.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.644 1.577 . . . . 0.0 110.44 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.18 -29.92 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.674 -0.641 . . . . 0.0 112.366 178.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -64.32 -38.96 92.9 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.992 -1.067 . . . . 0.0 111.679 176.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -68.29 -34.28 75.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.248 0.619 . . . . 0.0 111.834 172.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.79 -47.98 78.73 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 118.734 -0.65 . . . . 0.0 112.084 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.45 -38.41 74.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 120.591 1.541 . . . . 0.0 111.707 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -33.71 76.01 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.571 0.748 . . . . 0.0 112.301 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -68.66 -51.0 46.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.587 0.755 . . . . 0.0 111.534 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.79 -49.64 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.15 0.98 . . . . 0.0 111.357 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -67.29 -14.49 62.96 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.24 -42.51 7.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.675 1.19 . . . . 0.0 112.622 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.77 -26.61 15.07 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.12 -42.31 0.88 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -169.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 CA--C 1.555 1.149 0 C-N-CA 128.194 2.598 . . . . 0.0 114.98 175.917 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.71 146.0 55.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.119 1.368 . . . . 0.0 111.69 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -84.28 -31.64 24.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.674 1.59 . . . . 0.0 112.139 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -100.56 -29.95 12.06 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.37 5.47 4.8 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 59.81 15.28 4.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.532 2.333 . . . . 0.0 116.635 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -63.53 151.29 41.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.826 1.651 . . . . 0.0 111.745 171.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -105.14 141.77 36.1 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.006 1.322 . . . . 0.0 112.513 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -133.95 153.17 51.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.989 1.716 . . . . 0.0 113.14 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 p -90.27 -10.04 45.68 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.57 1.948 . . . . 0.0 115.069 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -153.12 150.82 29.49 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.875 1.67 . . . . 0.0 109.263 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.28 -30.19 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.327 -0.858 . . . . 0.0 111.702 169.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -62.96 -43.17 99.53 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 111.3 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.25 -37.48 74.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.202 1.001 . . . . 0.0 111.37 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.05 -46.94 88.63 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.286 0.635 . . . . 0.0 111.927 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.41 -38.77 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 120.796 -1.19 . . . . 0.0 111.499 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -62.36 -33.22 74.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 0.0 112.553 172.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -68.25 -51.69 42.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.535 0.607 . . . . 0.0 111.691 169.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -55.13 -51.13 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.036 0.934 . . . . 0.0 111.29 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -68.32 -14.53 63.06 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -97.08 -42.42 7.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.58 1.152 . . . . 0.0 112.598 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.85 -26.24 15.17 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -133.33 -42.83 0.86 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 127.956 2.502 . . . . 0.0 114.664 178.523 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.2 p80 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.32 143.8 57.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.884 1.273 . . . . 0.0 111.879 172.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -80.24 -24.99 39.77 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.201 1.8 . . . . 0.0 112.642 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -110.98 -29.35 7.95 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -167.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.68 1.26 4.94 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 59.06 18.03 6.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.997 2.119 . . . . 0.0 116.229 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -59.61 146.48 40.74 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.786 1.234 . . . . 0.0 110.848 168.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.75 139.29 42.56 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.92 1.288 . . . . 0.0 112.418 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -133.71 146.34 50.71 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.87 1.668 . . . . 0.0 112.057 -173.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -90.48 -1.18 57.89 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.088 1.355 . . . . 0.0 113.511 171.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.14 135.15 20.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.733 1.613 . . . . 0.0 111.679 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.71 -31.85 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.578 0.751 . . . . 0.0 112.791 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.53 -37.66 71.13 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.406 -0.809 . . . . 0.0 111.732 177.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -60.51 -44.65 95.78 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.786 0.834 . . . . 0.0 111.335 169.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -60.18 -46.07 90.96 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.444 0.698 . . . . 0.0 112.364 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.07 -39.58 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.29 -31.64 72.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.376 1.07 . . . . 0.0 112.228 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -69.74 -49.82 49.39 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.866 0.866 . . . . 0.0 111.695 169.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.68 -48.17 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.932 0.893 . . . . 0.0 111.32 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.25 -12.75 60.91 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.1 -40.15 7.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.716 1.206 . . . . 0.0 113.001 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.23 -24.88 13.86 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -169.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -131.61 -35.14 1.31 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -169.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.258 7.4 p-10 . . . . . 0 CA--C 1.556 1.186 0 C-N-CA 127.377 2.271 . . . . 0.0 115.383 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.1 p80 . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.36 146.29 54.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.548 1.139 . . . . 0.0 111.859 171.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -85.07 -25.25 27.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.28 1.832 . . . . 0.0 112.716 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -110.44 -28.91 8.32 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -168.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.48 1.79 5.61 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.01 18.73 6.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.991 2.116 . . . . 0.0 116.267 173.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.93 147.78 42.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.917 1.287 . . . . 0.0 111.091 169.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -104.91 140.07 38.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.154 1.382 . . . . 0.0 112.423 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.36 158.82 43.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.681 1.993 . . . . 0.0 111.603 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 m -110.12 7.08 23.3 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.608 1.163 . . . . 0.0 113.337 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.04 137.09 18.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.519 1.528 . . . . 0.0 111.407 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.44 -31.9 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.182 0.993 . . . . 0.0 113.082 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -70.31 -41.67 73.01 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.532 -0.73 . . . . 0.0 111.334 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -64.12 -39.52 94.21 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.638 0.775 . . . . 0.0 112.131 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.6 -47.88 84.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.76 0.709 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 -38.23 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.023 -1.048 . . . . 0.0 111.108 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.49 -37.71 87.05 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.084 0.954 . . . . 0.0 112.122 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.2 -50.17 69.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.177 0.591 . . . . 0.0 111.718 169.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.27 -51.3 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.614 0.766 . . . . 0.0 111.261 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -69.15 -15.09 63.33 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -94.27 -43.43 8.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.364 1.065 . . . . 0.0 112.744 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -25.34 15.28 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -170.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -131.86 -42.9 1.0 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 CA--C 1.554 1.112 0 C-N-CA 127.81 2.444 . . . . 0.0 114.214 177.405 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 . . . . . 0 CA--C 1.54 0.558 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.69 151.12 39.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.658 1.583 . . . . 0.0 112.182 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -88.47 -26.72 21.93 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.515 1.926 . . . . 0.0 112.549 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -108.44 -28.63 9.26 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -167.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.19 1.41 4.68 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 60.8 13.68 4.59 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.403 2.281 . . . . 0.0 116.496 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.11 147.63 50.26 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.591 1.957 . . . . 0.0 112.39 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -99.37 141.54 32.02 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.886 1.274 . . . . 0.0 111.816 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -133.02 144.47 50.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.499 1.52 . . . . 0.0 112.491 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 p -72.67 -22.07 60.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.443 1.497 . . . . 0.0 114.653 -172.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -148.43 154.98 40.62 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.357 1.463 . . . . 0.0 110.984 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.52 -31.8 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.423 -0.798 . . . . 0.0 112.946 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.94 -36.45 83.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.369 -0.832 . . . . 0.0 112.138 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.12 -33.84 68.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.233 0.613 . . . . 0.0 111.883 173.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -62.33 -47.91 82.16 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.785 0.72 . . . . 0.0 111.257 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.0 -39.87 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 120.953 -1.092 . . . . 0.0 110.963 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -60.46 -36.3 77.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.645 1.578 . . . . 0.0 112.361 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -68.28 -51.42 45.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.635 0.774 . . . . 0.0 111.92 170.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.1 mt -55.15 -51.38 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.964 0.906 . . . . 0.0 110.791 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -67.4 -12.53 60.47 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -100.77 -42.7 6.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 112.763 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.0 -26.19 15.1 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -170.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -131.57 -40.67 1.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.93 0.892 . . . . 0.0 113.399 -170.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.553 1.067 0 C-N-CA 129.098 2.959 . . . . 0.0 115.306 177.442 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.4 p80 . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.11 153.08 22.69 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.192 1.397 . . . . 0.0 112.226 171.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -89.99 -37.08 14.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.493 1.517 . . . . 0.0 111.745 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -100.04 -31.96 11.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.224 1.41 . . . . 0.0 114.431 -167.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -123.65 -2.16 8.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.84 1.256 . . . . 0.0 114.148 174.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.285 63.2 mttp 57.08 26.12 11.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.244 2.217 . . . . 0.0 116.549 169.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.37 150.96 48.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.902 2.081 . . . . 0.0 111.077 168.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -102.96 140.76 36.82 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.84 1.256 . . . . 0.0 111.921 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -136.09 143.16 44.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.198 1.799 . . . . 0.0 111.8 -174.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -82.81 -6.38 59.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -150.0 142.3 24.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.6 1.56 . . . . 0.0 112.143 -172.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.98 -32.67 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.885 0.874 . . . . 0.0 113.123 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.43 -33.9 67.44 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.405 -0.81 . . . . 0.0 111.715 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -65.77 -41.62 91.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.557 0.743 . . . . 0.0 111.611 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -60.35 -48.34 82.17 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.26 0.624 . . . . 0.0 111.941 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.38 -39.73 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 121.063 -1.023 . . . . 0.0 111.096 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -63.43 -40.33 96.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.135 0.974 . . . . 0.0 111.854 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -60.69 -47.33 86.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.256 0.622 . . . . 0.0 111.807 170.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -57.87 -51.92 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.841 0.746 . . . . 0.0 111.092 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -69.5 -15.18 63.2 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.31 -43.86 9.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.408 1.083 . . . . 0.0 113.028 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.79 -25.07 14.49 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -169.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -131.22 -39.86 1.16 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.552 1.049 0 C-N-CA 128.64 2.776 . . . . 0.0 115.414 176.779 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p80 . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 121.163 0.506 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.71 141.39 58.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.277 1.031 . . . . 0.0 110.943 171.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -81.8 -27.56 33.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.045 1.338 . . . . 0.0 112.218 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -103.69 -31.51 9.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -166.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -127.02 4.74 6.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 60.24 19.48 8.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.469 2.307 . . . . 0.0 116.132 168.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.8 153.52 43.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.745 1.618 . . . . 0.0 111.542 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -114.0 144.18 43.52 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.576 1.551 . . . . 0.0 111.881 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -133.35 146.53 51.37 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.575 1.15 . . . . 0.0 112.796 -169.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -79.41 -14.74 58.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -147.9 144.65 28.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.153 1.381 . . . . 0.0 111.258 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 p -66.61 -30.22 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.52 -33.62 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.375 -0.828 . . . . 0.0 111.779 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.33 -39.67 78.04 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.425 0.557 . . . . 0.0 111.41 172.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.1 tp -60.74 -47.56 85.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.616 0.766 . . . . 0.0 111.992 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.4 -39.08 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.071 -1.018 . . . . 0.0 111.06 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.83 -36.24 82.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.338 1.055 . . . . 0.0 112.208 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -65.0 -51.6 60.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.113 0.565 . . . . 0.0 111.397 169.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.3 -51.05 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.772 0.829 . . . . 0.0 111.46 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -69.09 -14.97 63.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -95.12 -43.12 8.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.393 1.077 . . . . 0.0 112.62 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.01 -26.15 15.65 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -132.84 -41.51 0.93 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -169.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.554 1.126 0 C-N-CA 127.876 2.47 . . . . 0.0 114.314 177.793 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.02 145.02 56.33 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.16 1.384 . . . . 0.0 112.416 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -82.16 -25.67 34.13 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.598 1.959 . . . . 0.0 112.638 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -110.89 -28.89 8.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -168.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -132.47 4.45 3.97 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 58.75 16.13 4.23 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.472 2.309 . . . . 0.0 116.781 172.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -62.31 149.83 41.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.644 1.578 . . . . 0.0 111.591 169.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.0 mtmt -101.42 138.67 38.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.695 1.198 . . . . 0.0 112.305 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -134.0 141.92 47.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.804 1.642 . . . . 0.0 111.889 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -78.39 -8.91 59.0 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.61 151.81 29.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.662 1.585 . . . . 0.0 110.787 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -62.34 -32.65 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.393 -0.817 . . . . 0.0 113.153 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -68.14 -34.71 76.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.272 -0.893 . . . . 0.0 112.012 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -70.06 -38.56 75.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.25 0.62 . . . . 0.0 111.16 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.37 -46.6 89.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.253 0.621 . . . . 0.0 111.676 169.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.72 -41.01 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 120.978 -1.076 . . . . 0.0 110.982 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -60.87 -40.3 92.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.25 1.02 . . . . 0.0 113.066 171.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -61.03 -46.98 88.52 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.368 0.531 . . . . 0.0 111.67 171.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.65 -51.08 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 111.181 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -18.32 63.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -95.77 -32.57 12.64 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.88 -21.98 11.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -129.48 -34.78 1.78 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.268 7.2 p-10 . . . . . 0 CA--C 1.557 1.235 0 C-N-CA 127.209 2.203 . . . . 0.0 115.828 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.08 129.14 34.92 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.715 1.206 . . . . 0.0 110.935 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -78.6 -17.91 55.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -96.64 -33.86 11.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.39 5.17 5.71 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt 63.23 18.21 10.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.002 2.121 . . . . 0.0 115.488 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.57 163.72 15.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.828 1.251 . . . . 0.0 112.491 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -117.47 141.99 47.68 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.068 1.747 . . . . 0.0 111.331 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.85 159.23 41.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.602 1.961 . . . . 0.0 112.048 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -86.9 -73.61 0.46 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.813 1.245 . . . . 0.0 111.393 174.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.17 142.18 28.82 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.915 1.286 . . . . 0.0 112.214 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -65.26 -29.39 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.199 -0.938 . . . . 0.0 113.009 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -69.57 -33.31 72.55 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.366 -0.834 . . . . 0.0 111.821 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -70.19 -41.03 74.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.363 0.665 . . . . 0.0 111.113 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -60.04 -47.66 84.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.655 0.782 . . . . 0.0 111.851 171.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.72 -39.33 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 111.298 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.0 -42.37 99.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.134 0.974 . . . . 0.0 111.621 173.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -59.8 -46.84 87.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.364 0.666 . . . . 0.0 111.794 171.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.62 -51.79 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 118.73 0.695 . . . . 0.0 111.101 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -70.0 -16.35 63.16 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -88.75 -43.91 10.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.366 1.067 . . . . 0.0 113.028 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.72 -24.79 14.33 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -169.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.57 -41.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -169.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.553 1.094 0 C-N-CA 127.953 2.501 . . . . 0.0 114.728 175.11 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.5 m170 . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.8 132.4 47.35 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.012 0.911 . . . . 0.0 112.32 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -70.29 -24.69 63.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.241 1.816 . . . . 0.0 112.913 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.21 -30.02 6.76 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -168.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -131.16 7.28 4.61 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 59.21 17.4 5.65 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.379 2.272 . . . . 0.0 116.427 171.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -63.7 156.37 27.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.796 1.639 . . . . 0.0 111.748 169.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.41 137.87 53.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.835 1.254 . . . . 0.0 112.726 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -133.82 151.39 51.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.997 2.119 . . . . 0.0 111.275 -170.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.4 m -95.75 -4.22 44.43 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -146.02 140.29 26.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.169 1.388 . . . . 0.0 110.407 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.24 -28.56 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.283 0.633 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -68.4 -37.8 80.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.725 0.81 . . . . 0.0 111.534 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -68.25 -40.65 81.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.287 0.635 . . . . 0.0 110.991 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -59.34 -47.15 86.52 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.429 0.692 . . . . 0.0 111.717 170.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.95 -45.9 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 121.152 -0.968 . . . . 0.0 110.91 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.9 -31.31 70.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.923 1.238 . . . . 0.0 112.476 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -66.16 -50.15 64.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.643 0.656 . . . . 0.0 111.926 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.76 -46.55 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.101 0.864 . . . . 0.0 111.15 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.255 4.4 tpm_? -60.98 -23.39 65.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 129.157 2.983 . . . . 0.0 113.752 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -97.7 -44.26 6.84 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.179 1.391 . . . . 0.0 113.889 173.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.53 -27.14 14.17 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -168.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -135.94 3.47 2.94 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 CA--C 1.55 0.944 0 C-N-CA 126.148 1.779 . . . . 0.0 115.043 -168.41 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -76.64 -22.31 54.27 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -95.74 151.08 19.69 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.624 1.569 . . . . 0.0 113.036 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.04 165.56 17.17 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.786 1.184 . . . . 0.0 113.578 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -93.14 -5.65 49.72 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.316 1.446 . . . . 0.0 114.327 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -79.93 64.16 4.69 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.885 1.674 . . . . 0.0 112.996 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.02 165.05 35.12 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.99 1.281 . . . . 0.0 113.608 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.3 pt -83.92 165.79 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.612 1.165 . . . . 0.0 112.574 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -125.01 127.5 47.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.076 1.35 . . . . 0.0 110.438 172.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -130.78 158.6 39.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.336 1.854 . . . . 0.0 110.441 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -136.31 149.58 48.49 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.01 151.7 41.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.519 1.128 . . . . 0.0 110.708 169.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -116.44 7.07 13.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.318 1.847 . . . . 0.0 112.871 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -130.87 -28.52 1.98 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.838 1.655 . . . . 0.0 112.57 -172.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -134.73 4.19 3.31 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.394 1.478 . . . . 0.0 114.738 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 61.05 22.06 12.36 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.297 2.239 . . . . 0.0 116.558 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -64.28 167.37 6.81 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.589 1.156 . . . . 0.0 111.952 168.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -124.43 142.64 51.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.581 1.552 . . . . 0.0 111.796 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -133.87 147.87 51.2 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.498 1.919 . . . . 0.0 112.166 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -88.64 -4.18 58.62 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.19 140.88 21.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.111 1.365 . . . . 0.0 110.891 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.89 -31.43 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.07 -34.47 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.32 -0.863 . . . . 0.0 111.639 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -70.15 -38.52 75.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.222 0.609 . . . . 0.0 111.173 173.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.6 -46.88 88.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.452 0.701 . . . . 0.0 111.847 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.98 -37.76 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 120.999 -1.063 . . . . 0.0 111.2 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.43 -40.81 92.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.264 1.025 . . . . 0.0 112.029 171.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -63.12 -49.05 75.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.321 0.648 . . . . 0.0 111.836 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.28 -51.85 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.921 0.888 . . . . 0.0 111.143 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -69.28 -16.68 63.62 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.93 -44.17 9.05 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.318 1.047 . . . . 0.0 112.877 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.96 -24.36 15.41 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -131.2 -43.13 1.06 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -169.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.1 t0 38.81 68.2 2.0 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 128.305 2.642 . . . . 0.0 114.612 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.24 -1.55 9.79 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.126 3.217 . . . . 0.0 114.711 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -80.47 -10.84 59.74 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.7 1.2 . . . . 0.0 113.576 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.485 1.514 . . . . 0.0 113.954 177.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 N-CA-C 111.929 -0.469 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -147.17 164.97 31.42 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.533 1.533 . . . . 0.0 112.066 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -146.05 177.17 9.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.534 1.533 . . . . 0.0 111.437 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 -26.68 63.36 Favored Glycine 0 CA--C 1.54 1.605 0 O-C-N 120.932 -1.105 . . . . 0.0 113.338 172.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -73.24 -13.2 61.1 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.383 1.473 . . . . 0.0 114.176 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -74.46 -13.58 60.72 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.279 1.032 . . . . 0.0 113.239 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.91 179.2 42.63 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.156 1.36 . . . . 0.0 114.427 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.8 pt -92.66 156.58 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.829 1.251 . . . . 0.0 112.6 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -143.68 145.62 32.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.138 1.775 . . . . 0.0 110.453 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -128.36 122.91 32.59 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.447 1.099 . . . . 0.0 110.543 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -142.26 153.85 44.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.491 1.116 . . . . 0.0 112.253 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.5 145.78 54.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.486 1.114 . . . . 0.0 111.592 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -86.03 -28.0 24.43 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.466 1.906 . . . . 0.0 112.092 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -106.46 -30.6 8.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -167.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -128.2 5.59 5.84 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 59.37 16.85 5.4 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.574 2.35 . . . . 0.0 116.759 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -65.23 151.59 45.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.769 1.628 . . . . 0.0 111.83 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -102.96 144.52 31.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.228 1.411 . . . . 0.0 112.179 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -133.24 151.95 51.93 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.992 1.317 . . . . 0.0 113.373 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 p -82.78 -20.23 36.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.584 1.554 . . . . 0.0 114.305 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -152.48 149.77 28.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.523 1.529 . . . . 0.0 110.38 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.4 -30.63 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.492 -0.755 . . . . 0.0 112.368 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -68.42 -39.47 81.57 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.965 0.906 . . . . 0.0 111.549 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -67.14 -38.73 86.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.343 0.657 . . . . 0.0 111.28 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -61.95 -46.82 87.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.191 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.869 -1.145 . . . . 0.0 111.328 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.66 -34.53 75.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.05 0.94 . . . . 0.0 112.412 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -67.8 -52.14 40.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.063 0.545 . . . . 0.0 111.611 169.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.52 -50.61 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.881 0.872 . . . . 0.0 111.309 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -68.12 -15.45 63.59 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -96.91 -42.63 7.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.505 1.122 . . . . 0.0 112.672 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.61 -26.25 15.83 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -133.15 -42.99 0.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -169.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 40.07 63.78 4.9 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 128.026 2.53 . . . . 0.0 114.432 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.18 155.1 52.1 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 124.143 3.229 . . . . 0.0 113.782 -170.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -95.45 4.02 53.69 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.408 1.483 . . . . 0.0 113.283 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.833 2.053 . . . . 0.0 112.474 -175.11 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.104 -0.399 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -81.71 -8.01 59.65 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 p -74.41 168.07 20.43 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.661 1.585 . . . . 0.0 113.353 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.89 -147.44 24.98 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.238 0.923 . . . . 0.0 113.724 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 t -145.34 154.21 42.07 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.576 1.551 . . . . 0.0 111.973 -173.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -76.39 4.0 9.91 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.826 1.25 . . . . 0.0 113.27 169.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.12 -57.72 5.06 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.716 1.627 . . . . 0.0 112.671 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.4 mm -82.0 113.08 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.609 1.164 . . . . 0.0 109.951 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -80.11 154.89 27.78 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.724 1.209 . . . . 0.0 110.787 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -130.03 161.23 31.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.433 1.493 . . . . 0.0 111.188 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -141.97 151.8 42.87 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 173.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.39 154.87 30.65 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.856 1.263 . . . . 0.0 111.93 171.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -93.89 -36.23 12.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.945 1.698 . . . . 0.0 111.971 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -97.22 -30.17 13.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -167.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -127.54 -1.75 6.16 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.009 1.324 . . . . 0.0 114.507 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.282 63.2 mttp 58.02 26.07 13.06 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.194 2.198 . . . . 0.0 116.536 169.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -66.69 154.04 41.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.374 1.87 . . . . 0.0 111.014 168.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -103.61 141.85 35.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.053 1.341 . . . . 0.0 112.58 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.89 149.13 51.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.272 1.829 . . . . 0.0 112.78 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 p -80.18 -18.66 49.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.573 1.549 . . . . 0.0 114.491 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -155.39 153.76 30.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.478 1.511 . . . . 0.0 111.166 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -63.62 -31.19 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.56 -35.01 75.0 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.359 -0.838 . . . . 0.0 111.928 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.75 -37.93 79.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.761 0.709 . . . . 0.0 111.657 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.52 -48.03 81.31 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.166 0.587 . . . . 0.0 112.213 170.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.24 -38.88 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.799 -1.188 . . . . 0.0 111.143 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.4 -34.8 75.97 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 112.444 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -68.46 -51.6 41.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.216 0.606 . . . . 0.0 111.703 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.6 mt -55.52 -50.46 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.881 0.873 . . . . 0.0 111.205 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -67.88 -13.04 61.82 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -99.72 -42.62 6.78 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.669 1.188 . . . . 0.0 112.645 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.63 -26.39 15.23 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -170.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -131.99 -41.54 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -169.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t0 37.92 80.67 0.27 Allowed Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 128.966 2.906 . . . . 0.0 115.189 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.68 -8.92 24.84 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.48 2.786 . . . . 0.0 114.242 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 55.49 38.38 30.17 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.134 1.774 . . . . 0.0 114.022 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.459 1.904 . . . . 0.0 112.759 -179.119 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.6 p -84.19 -12.65 54.52 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.2 p 52.98 17.58 0.92 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.342 1.857 . . . . 0.0 115.082 -169.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.34 6.05 87.77 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.334 1.445 . . . . 0.0 115.633 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -141.63 -21.12 0.74 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -79.39 157.27 27.63 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.318 0.963 . . . . 0.0 112.488 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.34 -170.06 37.84 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.102 1.334 . . . . 0.0 113.392 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.5 pt -128.57 159.02 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.438 1.495 . . . . 0.0 112.675 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -127.97 164.6 21.98 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.363 1.865 . . . . 0.0 110.633 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -114.47 160.68 18.92 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.125 1.37 . . . . 0.0 112.294 -174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -131.46 151.76 51.28 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.069 0.947 . . . . 0.0 111.879 169.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.99 138.18 57.91 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.415 1.102 . . . . 0.0 111.481 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.21 -24.1 47.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.465 1.506 . . . . 0.0 111.604 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -108.68 -31.2 7.83 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.647 1.579 . . . . 0.0 114.456 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.89 4.24 3.82 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 60.35 15.66 5.61 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -61.69 148.29 43.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.968 1.307 . . . . 0.0 110.873 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -102.61 137.33 40.98 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.464 1.106 . . . . 0.0 112.787 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -134.91 133.71 39.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.794 1.637 . . . . 0.0 112.349 -175.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.44 -15.92 60.89 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -140.14 142.2 36.02 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 111.211 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.19 -30.36 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.407 0.683 . . . . 0.0 112.386 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.99 -39.49 93.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.118 0.967 . . . . 0.0 112.036 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -69.99 -37.52 75.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.175 0.59 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.88 -48.16 82.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.05 0.54 . . . . 0.0 111.511 169.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.92 -41.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.995 -1.066 . . . . 0.0 111.257 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.71 -38.33 90.03 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.592 0.757 . . . . 0.0 112.395 173.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -62.94 -47.1 84.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.576 0.625 . . . . 0.0 111.807 170.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.3 -52.11 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.772 0.829 . . . . 0.0 110.74 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -70.08 -12.41 61.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.8 -42.77 9.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.391 1.076 . . . . 0.0 112.877 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -25.33 14.01 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 -169.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -131.59 -38.96 1.14 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.3 t0 41.28 61.53 7.53 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 128.389 2.676 . . . . 0.0 115.396 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -74.99 -38.16 1.72 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.34 2.693 . . . . 0.0 113.377 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -148.62 -55.51 0.2 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.85 1.66 . . . . 0.0 112.043 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.353 1.861 . . . . 0.0 113.065 -174.236 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -64.32 -17.51 63.74 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -172.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 p -75.85 -12.73 60.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.423 1.489 . . . . 0.0 114.242 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.64 -168.94 50.86 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.736 1.16 . . . . 0.0 114.612 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 m -138.62 147.84 43.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.337 1.455 . . . . 0.0 112.281 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 m -74.4 158.47 33.84 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.763 1.225 . . . . 0.0 112.496 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.97 -20.56 0.17 Allowed Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.012 1.165 . . . . 0.0 116.012 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.1 mm -75.77 120.23 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 118.717 1.258 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.01 131.94 41.89 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.42 1.088 . . . . 0.0 110.613 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -89.84 119.44 30.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.283 0.633 . . . . 0.0 111.631 -172.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -142.26 153.96 44.36 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.667 1.187 . . . . 0.0 111.862 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.65 142.42 52.97 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.493 1.139 . . . . 0.0 112.466 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.54 -27.13 41.29 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.328 1.851 . . . . 0.0 112.154 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -114.19 -29.81 6.83 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -168.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -126.34 6.1 7.01 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 58.48 14.79 3.17 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.687 2.395 . . . . 0.0 116.523 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -63.48 146.15 54.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.576 1.55 . . . . 0.0 111.803 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.91 141.18 28.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.657 1.183 . . . . 0.0 111.094 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.8 147.22 51.55 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.464 1.106 . . . . 0.0 113.724 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.1 p -79.86 -25.4 40.73 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.51 1.524 . . . . 0.0 114.244 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.68 149.35 28.31 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.58 1.552 . . . . 0.0 110.318 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.45 -32.07 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.504 0.722 . . . . 0.0 112.475 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.17 -39.49 78.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.131 0.972 . . . . 0.0 111.682 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -65.9 -41.68 91.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.884 0.874 . . . . 0.0 110.948 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.6 -46.88 88.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.436 1.094 . . . . 0.0 112.367 171.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.73 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.86 -1.15 . . . . 0.0 111.188 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.39 -36.6 82.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.954 0.902 . . . . 0.0 112.453 173.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -63.59 -47.71 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.273 0.629 . . . . 0.0 111.99 170.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.9 -49.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.964 0.802 . . . . 0.0 111.252 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -69.02 -14.37 63.0 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -97.06 -42.87 7.67 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.716 1.206 . . . . 0.0 113.006 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.21 -24.58 14.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -130.06 -34.04 1.71 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -170.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.25 8.2 p-10 33.46 67.76 1.09 Allowed Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 128.191 2.596 . . . . 0.0 115.584 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -64.99 159.76 44.78 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.503 2.802 . . . . 0.0 113.942 -173.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -123.66 21.71 9.2 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.715 1.606 . . . . 0.0 112.019 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.453 1.901 . . . . 0.0 112.644 -177.761 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -79.72 35.79 0.31 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.913 1.685 . . . . 0.0 114.281 -174.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -56.21 126.2 25.11 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.251 1.42 . . . . 0.0 112.193 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.56 -13.51 22.34 Favored Glycine 0 CA--C 1.541 1.688 0 C-N-CA 124.984 1.278 . . . . 0.0 115.381 -174.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -100.64 -26.89 13.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.125 1.37 . . . . 0.0 113.041 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -61.29 -16.44 45.65 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.36 -12.54 61.22 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.969 1.271 . . . . 0.0 115.101 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.83 151.64 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.435 1.494 . . . . 0.0 111.449 171.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -127.15 155.95 42.55 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.394 1.878 . . . . 0.0 110.374 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -130.46 150.16 51.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.342 1.057 . . . . 0.0 111.94 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -131.49 151.48 51.53 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.574 1.15 . . . . 0.0 110.671 168.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -60.42 142.81 54.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 122.381 1.086 . . . . 0.0 112.486 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.23 -27.17 61.44 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.433 1.493 . . . . 0.0 111.826 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -111.51 -30.58 7.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.12 1.368 . . . . 0.0 114.557 -169.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -130.08 1.95 4.75 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 57.52 18.63 4.69 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.091 2.156 . . . . 0.0 116.265 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -59.7 135.51 57.71 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.03 1.332 . . . . 0.0 110.902 169.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -75.24 137.46 41.25 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.653 0.781 . . . . 0.0 111.516 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.52 147.85 51.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.959 1.704 . . . . 0.0 112.813 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 p -80.37 -23.89 40.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 114.585 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -153.22 151.98 30.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.608 1.563 . . . . 0.0 110.454 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.53 -36.13 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.563 -0.71 . . . . 0.0 112.795 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.85 -32.56 63.71 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.217 0.917 . . . . 0.0 112.304 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.55 -33.23 75.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.633 0.651 . . . . 0.0 111.108 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -69.56 -40.67 76.66 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.27 -43.9 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 120.445 -1.409 . . . . 0.0 110.413 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -60.44 -32.22 71.17 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.253 1.421 . . . . 0.0 113.016 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -72.41 -47.58 48.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.146 0.978 . . . . 0.0 112.148 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.84 -45.82 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.338 1.055 . . . . 0.0 111.322 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.96 -6.6 34.25 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.59 -44.55 4.04 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.646 1.178 . . . . 0.0 112.673 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.79 -23.81 15.25 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -135.55 18.69 3.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.796 1.238 . . . . 0.0 113.536 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -58.2 118.62 28.6 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.474 1.51 . . . . 0.0 112.678 -171.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.46 161.89 36.75 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.917 3.078 . . . . 0.0 113.544 -173.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -75.74 -9.56 58.69 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.404 1.482 . . . . 0.0 114.991 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.327 1.851 . . . . 0.0 112.694 -177.651 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -67.74 155.42 39.32 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.639 1.175 . . . . 0.0 113.235 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -63.98 148.6 49.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.694 1.197 . . . . 0.0 112.909 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.92 30.42 0.49 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.325 0.964 . . . . 0.0 114.501 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 m -62.68 148.52 46.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.964 1.305 . . . . 0.0 113.196 -176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -145.62 170.79 15.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.388 1.475 . . . . 0.0 112.736 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.3 -179.65 51.71 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.729 1.157 . . . . 0.0 114.581 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.41 154.46 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.841 1.656 . . . . 0.0 110.652 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -127.98 130.01 47.69 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.09 1.356 . . . . 0.0 110.969 171.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -132.49 158.1 42.95 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.372 1.869 . . . . 0.0 110.924 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -134.25 151.83 51.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 173.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.04 150.2 48.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 111.932 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -88.61 -23.53 23.05 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.358 1.863 . . . . 0.0 112.695 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.41 -28.74 8.41 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -167.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -130.32 0.5 4.58 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.34 17.95 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.031 2.132 . . . . 0.0 115.996 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.88 159.7 8.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.735 0.814 . . . . 0.0 110.937 167.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -128.08 137.82 52.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.087 1.355 . . . . 0.0 111.909 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -133.76 150.54 51.47 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.973 1.709 . . . . 0.0 112.883 -168.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.4 p -86.82 -9.48 55.7 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.381 1.472 . . . . 0.0 114.214 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.15 140.42 21.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.099 1.36 . . . . 0.0 110.992 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.22 -29.9 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.55 0.74 . . . . 0.0 112.921 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -70.44 -38.32 74.5 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.502 -0.748 . . . . 0.0 111.338 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -65.7 -40.26 92.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.412 0.551 . . . . 0.0 111.068 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.29 -44.07 95.71 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.548 0.739 . . . . 0.0 112.357 170.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.71 -38.97 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 120.707 -1.245 . . . . 0.0 111.445 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.18 -34.55 75.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.819 0.848 . . . . 0.0 112.151 171.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -66.87 -52.38 44.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.514 0.725 . . . . 0.0 111.935 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.3 mt -56.36 -48.75 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.079 0.854 . . . . 0.0 111.355 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.72 -10.16 58.83 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.38 -42.99 5.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.635 1.174 . . . . 0.0 112.579 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.12 -25.17 17.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -171.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.1 -46.71 1.12 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.8 0.84 . . . . 0.0 113.207 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 35.04 72.71 0.69 Allowed Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 128.503 2.721 . . . . 0.0 115.171 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.85 136.26 71.29 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.8 3.0 . . . . 0.0 112.521 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -90.69 14.71 12.66 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.638 1.175 . . . . 0.0 113.199 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.701 1.6 . . . . 0.0 113.84 -178.284 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.567 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -65.16 -19.62 66.07 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -175.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 p -60.19 -26.68 66.54 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.648 1.179 . . . . 0.0 113.206 170.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.08 -15.05 64.63 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.711 1.148 . . . . 0.0 114.56 174.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -86.44 -3.53 59.02 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.92 1.288 . . . . 0.0 113.742 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -68.85 146.67 52.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.066 0.946 . . . . 0.0 112.04 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.02 153.16 52.87 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.163 0.887 . . . . 0.0 113.534 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.08 119.56 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.613 0.765 . . . . 0.0 109.734 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -74.46 148.5 41.01 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.125 0.97 . . . . 0.0 111.266 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -113.86 153.15 29.65 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.314 1.446 . . . . 0.0 110.939 -171.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -141.73 151.96 43.4 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.12 141.36 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.922 1.289 . . . . 0.0 111.617 170.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -80.96 -25.92 37.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.646 1.579 . . . . 0.0 112.33 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -107.49 -30.42 8.65 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -167.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -129.36 5.03 5.2 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 59.24 16.87 5.25 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.26 2.224 . . . . 0.0 116.183 170.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.97 150.59 37.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.295 1.438 . . . . 0.0 111.188 169.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -112.84 140.25 47.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.045 1.338 . . . . 0.0 112.555 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -136.63 145.36 44.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 111.736 -171.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -85.89 -4.03 59.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.03 136.69 22.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.848 1.659 . . . . 0.0 111.48 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.26 -30.24 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.949 0.9 . . . . 0.0 112.817 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.56 -42.71 70.75 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.339 -0.85 . . . . 0.0 111.18 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -61.35 -39.15 89.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.463 0.705 . . . . 0.0 112.15 171.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.63 -45.7 92.96 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.773 -0.579 . . . . 0.0 112.068 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.27 -38.4 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.883 -1.136 . . . . 0.0 111.281 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -62.43 -36.62 82.97 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.251 1.02 . . . . 0.0 112.244 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.71 -51.22 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.621 0.646 . . . . 0.0 111.623 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.24 -51.28 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.758 0.823 . . . . 0.0 111.267 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.3 -12.73 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.16 -43.46 7.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.396 1.078 . . . . 0.0 112.661 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.1 -26.08 16.18 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -131.78 -43.04 1.0 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -170.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 40.92 63.67 5.59 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 127.94 2.496 . . . . 0.0 114.379 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -68.11 153.83 73.91 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.794 2.996 . . . . 0.0 112.983 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -77.97 -7.98 57.53 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.361 1.864 . . . . 0.0 112.734 -176.542 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -148.01 165.93 29.29 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.301 1.44 . . . . 0.0 112.511 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -78.48 64.34 3.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.409 1.484 . . . . 0.0 112.444 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.89 166.06 36.79 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.979 1.276 . . . . 0.0 114.286 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -72.2 -26.07 61.91 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -175.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -69.39 153.88 42.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.51 1.124 . . . . 0.0 113.395 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.88 144.32 3.29 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.481 1.515 . . . . 0.0 114.066 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.87 102.75 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.004 1.321 . . . . 0.0 109.565 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -65.26 126.27 27.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.685 0.794 . . . . 0.0 110.717 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -142.35 164.57 29.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.576 1.55 . . . . 0.0 112.786 -170.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -131.24 151.87 51.06 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.872 0.869 . . . . 0.0 112.635 169.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.76 144.98 55.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.156 1.382 . . . . 0.0 112.222 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -82.04 -23.08 36.09 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.079 1.752 . . . . 0.0 112.514 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -111.74 -28.31 8.15 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -132.35 2.06 3.84 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 59.75 14.73 4.29 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.184 2.194 . . . . 0.0 116.472 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -60.28 144.5 50.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.914 1.286 . . . . 0.0 111.537 169.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.91 139.31 38.64 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.902 1.281 . . . . 0.0 112.272 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -133.6 140.07 46.91 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.543 1.537 . . . . 0.0 111.966 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -74.28 -15.97 60.96 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.55 151.52 39.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.424 1.089 . . . . 0.0 112.488 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.2 -33.32 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.224 1.01 . . . . 0.0 113.15 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.98 -35.29 76.55 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.242 -0.912 . . . . 0.0 111.865 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -68.44 -36.66 79.35 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.747 0.703 . . . . 0.0 111.388 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.22 -45.42 93.43 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.954 -0.466 . . . . 0.0 111.593 169.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.51 -38.15 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.686 -1.259 . . . . 0.0 111.303 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.04 -33.28 74.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.315 1.046 . . . . 0.0 112.502 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -69.49 -51.42 36.04 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.365 0.666 . . . . 0.0 111.777 169.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.69 -50.5 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.972 0.909 . . . . 0.0 111.028 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.36 -12.36 60.01 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -176.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.16 -42.79 5.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.809 1.243 . . . . 0.0 112.773 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.34 -26.06 16.05 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -132.3 -43.01 0.95 Allowed 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -170.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 35.33 70.75 0.93 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 128.724 2.809 . . . . 0.0 115.21 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.03 149.58 52.09 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 124.387 3.391 . . . . 0.0 114.425 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -82.02 -4.43 56.74 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 127.464 2.306 . . . . 0.0 114.654 -177.182 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -64.9 -16.07 62.79 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.2 1.555 . . . . 0.0 115.2 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -73.5 -16.78 61.28 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.98 1.312 . . . . 0.0 113.948 172.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.96 7.73 67.13 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.539 1.066 . . . . 0.0 114.622 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m 51.51 41.56 28.65 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.601 1.56 . . . . 0.0 113.743 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -68.36 158.01 34.47 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.85 1.26 . . . . 0.0 114.163 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.22 171.36 44.41 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.527 1.536 . . . . 0.0 112.515 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.8 pt -77.61 148.71 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -150.19 142.93 24.66 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.602 1.961 . . . . 0.0 109.626 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -130.35 140.04 50.64 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.541 1.136 . . . . 0.0 111.418 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -139.44 152.05 46.73 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.4 145.2 55.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.308 1.443 . . . . 0.0 111.785 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -86.23 -22.55 26.84 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.138 1.775 . . . . 0.0 112.662 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -109.15 -29.74 8.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -167.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -130.7 2.79 4.49 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 mttp 60.36 15.43 5.43 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.26 2.224 . . . . 0.0 116.412 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -61.37 160.24 11.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.699 1.199 . . . . 0.0 111.408 168.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -130.46 136.51 49.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.569 1.148 . . . . 0.0 111.824 -169.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -133.77 154.51 50.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.558 1.543 . . . . 0.0 113.302 -168.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 p -81.69 -17.75 46.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.131 1.773 . . . . 0.0 114.809 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -148.9 148.82 30.3 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 109.527 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.41 -30.18 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 111.53 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -62.45 -44.48 96.3 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.979 1.312 . . . . 0.0 111.195 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -69.85 -39.33 76.45 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.383 1.073 . . . . 0.0 111.354 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.48 -46.43 88.81 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.739 0.815 . . . . 0.0 111.781 170.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.58 -37.98 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.021 -1.05 . . . . 0.0 111.171 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.06 78.47 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.861 0.864 . . . . 0.0 111.864 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -65.63 -52.88 48.46 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.823 -0.548 . . . . 0.0 111.324 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -55.76 -49.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.213 1.005 . . . . 0.0 111.645 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -16.56 64.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -176.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -98.44 -38.96 9.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.355 1.062 . . . . 0.0 113.087 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.26 -27.76 15.34 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -169.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -136.01 -41.15 0.67 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t0 37.74 66.72 2.23 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 128.744 2.818 . . . . 0.0 115.759 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -79.07 5.04 6.02 Favored 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 124.843 3.696 . . . . 0.0 113.285 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.03 -16.01 61.51 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.6 1.56 . . . . 0.0 113.877 -170.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.312 1.845 . . . . 0.0 113.113 -179.244 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -68.76 150.95 47.28 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.49 1.116 . . . . 0.0 113.15 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -75.98 160.91 29.37 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.86 1.264 . . . . 0.0 112.884 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 116.08 0.51 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.331 0.967 . . . . 0.0 111.593 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m 53.97 21.6 2.95 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.576 1.551 . . . . 0.0 114.688 -172.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -117.55 -9.27 10.84 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.088 1.755 . . . . 0.0 114.624 -170.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.61 173.18 37.63 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.288 1.423 . . . . 0.0 113.041 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.8 pt -136.91 152.89 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.394 1.477 . . . . 0.0 112.281 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -138.37 153.72 48.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.51 1.924 . . . . 0.0 110.128 169.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -92.81 155.27 17.75 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.985 1.314 . . . . 0.0 110.558 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -131.96 151.16 51.9 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.21 140.36 58.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.125 1.37 . . . . 0.0 111.901 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -78.08 -23.08 48.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -111.63 -30.28 7.41 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -168.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -134.24 6.1 3.57 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 59.64 14.26 3.9 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 127.574 2.35 . . . . 0.0 116.883 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -61.15 151.31 31.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.205 1.802 . . . . 0.0 111.129 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.72 137.01 54.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.257 1.023 . . . . 0.0 112.922 -169.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -133.64 143.0 48.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.635 1.574 . . . . 0.0 112.277 -169.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 m -75.02 -15.3 60.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -146.23 146.38 30.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.644 1.577 . . . . 0.0 110.44 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.18 -29.92 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.674 -0.641 . . . . 0.0 112.366 178.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -64.32 -38.96 92.9 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.992 -1.067 . . . . 0.0 111.679 176.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -68.29 -34.28 75.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.248 0.619 . . . . 0.0 111.834 172.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.79 -47.98 78.73 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 118.734 -0.65 . . . . 0.0 112.084 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.45 -38.41 74.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 120.591 1.541 . . . . 0.0 111.707 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -33.71 76.01 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.571 0.748 . . . . 0.0 112.301 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -68.66 -51.0 46.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.587 0.755 . . . . 0.0 111.534 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.79 -49.64 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.15 0.98 . . . . 0.0 111.357 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -67.29 -14.49 62.96 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.24 -42.51 7.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.675 1.19 . . . . 0.0 112.622 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.77 -26.61 15.07 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.12 -42.31 0.88 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -169.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t0 41.19 61.47 7.47 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 128.194 2.598 . . . . 0.0 114.98 175.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -68.16 153.9 73.63 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.52 2.814 . . . . 0.0 112.259 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -84.26 -2.9 57.75 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.342 1.857 . . . . 0.0 112.652 -179.429 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -147.72 166.08 28.57 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.546 1.538 . . . . 0.0 112.386 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -145.33 157.97 43.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.118 1.367 . . . . 0.0 111.813 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.49 156.34 51.98 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.653 1.121 . . . . 0.0 114.523 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -76.17 -2.19 29.94 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -72.76 -20.7 61.13 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.09 160.28 53.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.19 0.9 . . . . 0.0 113.618 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.78 102.25 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.263 1.425 . . . . 0.0 108.19 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -64.29 123.21 18.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.402 0.681 . . . . 0.0 111.756 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -138.65 160.32 39.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.632 1.573 . . . . 0.0 111.39 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -139.78 151.86 46.12 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.71 146.0 55.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.119 1.368 . . . . 0.0 111.69 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -84.28 -31.64 24.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.674 1.59 . . . . 0.0 112.139 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -100.56 -29.95 12.06 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.37 5.47 4.8 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 59.81 15.28 4.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.532 2.333 . . . . 0.0 116.635 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -63.53 151.29 41.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.826 1.651 . . . . 0.0 111.745 171.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -105.14 141.77 36.1 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.006 1.322 . . . . 0.0 112.513 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -133.95 153.17 51.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.989 1.716 . . . . 0.0 113.14 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 p -90.27 -10.04 45.68 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.57 1.948 . . . . 0.0 115.069 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -153.12 150.82 29.49 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.875 1.67 . . . . 0.0 109.263 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.28 -30.19 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.327 -0.858 . . . . 0.0 111.702 169.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -62.96 -43.17 99.53 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 111.3 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.25 -37.48 74.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.202 1.001 . . . . 0.0 111.37 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.05 -46.94 88.63 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.286 0.635 . . . . 0.0 111.927 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.41 -38.77 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 120.796 -1.19 . . . . 0.0 111.499 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -62.36 -33.22 74.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 0.0 112.553 172.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -68.25 -51.69 42.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.535 0.607 . . . . 0.0 111.691 169.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -55.13 -51.13 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.036 0.934 . . . . 0.0 111.29 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -68.32 -14.53 63.06 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -97.08 -42.42 7.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.58 1.152 . . . . 0.0 112.598 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.85 -26.24 15.17 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -133.33 -42.83 0.86 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t0 40.69 63.41 5.61 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 127.956 2.502 . . . . 0.0 114.664 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -70.77 166.98 27.08 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 124.317 3.345 . . . . 0.0 113.119 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -78.48 63.61 3.36 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.158 1.383 . . . . 0.0 111.733 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.01 1.724 . . . . 0.0 113.724 177.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.527 -0.629 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -79.53 -16.75 55.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -174.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 m -68.59 145.99 53.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.676 1.191 . . . . 0.0 112.989 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.75 -4.34 57.81 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.468 1.032 . . . . 0.0 115.666 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -63.4 -11.5 23.42 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.98 1.712 . . . . 0.0 114.988 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -75.82 -9.54 58.68 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.065 1.346 . . . . 0.0 114.144 170.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.54 -153.05 5.92 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.589 1.566 . . . . 0.0 113.413 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.46 156.06 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.299 1.039 . . . . 0.0 113.171 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -131.54 142.0 49.84 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.547 1.539 . . . . 0.0 110.863 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -131.62 160.34 35.64 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.504 1.922 . . . . 0.0 110.944 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -137.05 152.52 50.17 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.32 143.8 57.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.884 1.273 . . . . 0.0 111.879 172.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -80.24 -24.99 39.77 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.201 1.8 . . . . 0.0 112.642 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -110.98 -29.35 7.95 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -167.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.68 1.26 4.94 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 59.06 18.03 6.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.997 2.119 . . . . 0.0 116.229 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -59.61 146.48 40.74 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.786 1.234 . . . . 0.0 110.848 168.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.75 139.29 42.56 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.92 1.288 . . . . 0.0 112.418 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -133.71 146.34 50.71 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.87 1.668 . . . . 0.0 112.057 -173.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -90.48 -1.18 57.89 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.088 1.355 . . . . 0.0 113.511 171.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.14 135.15 20.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.733 1.613 . . . . 0.0 111.679 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.71 -31.85 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.578 0.751 . . . . 0.0 112.791 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.53 -37.66 71.13 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.406 -0.809 . . . . 0.0 111.732 177.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -60.51 -44.65 95.78 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.786 0.834 . . . . 0.0 111.335 169.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -60.18 -46.07 90.96 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.444 0.698 . . . . 0.0 112.364 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.07 -39.58 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.29 -31.64 72.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.376 1.07 . . . . 0.0 112.228 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -69.74 -49.82 49.39 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.866 0.866 . . . . 0.0 111.695 169.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.68 -48.17 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.932 0.893 . . . . 0.0 111.32 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.25 -12.75 60.91 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.1 -40.15 7.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.716 1.206 . . . . 0.0 113.001 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.23 -24.88 13.86 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -169.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -131.61 -35.14 1.31 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -169.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.258 7.4 p-10 38.08 58.76 4.91 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 127.377 2.271 . . . . 0.0 115.383 176.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -73.12 -17.26 24.86 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.697 2.931 . . . . 0.0 114.82 -170.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 53.38 42.93 31.97 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.566 1.546 . . . . 0.0 112.977 -175.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.543 1.937 . . . . 0.0 112.814 -177.206 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -78.47 -18.99 54.06 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -149.72 157.37 43.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.604 1.561 . . . . 0.0 111.614 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.24 168.76 37.51 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.398 1.475 . . . . 0.0 112.975 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -81.18 134.73 35.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.637 0.775 . . . . 0.0 112.056 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -97.2 -6.68 34.16 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.771 1.628 . . . . 0.0 114.552 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.94 -1.8 83.56 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.962 1.268 . . . . 0.0 114.52 -169.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -136.06 111.63 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.975 1.31 . . . . 0.0 110.994 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -140.37 143.65 35.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.163 1.785 . . . . 0.0 110.318 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -132.36 153.41 50.79 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.59 1.556 . . . . 0.0 111.593 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -143.86 152.53 41.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.476 0.71 . . . . 0.0 112.856 169.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.36 146.29 54.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.548 1.139 . . . . 0.0 111.859 171.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -85.07 -25.25 27.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.28 1.832 . . . . 0.0 112.716 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -110.44 -28.91 8.32 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -168.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.48 1.79 5.61 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.01 18.73 6.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.991 2.116 . . . . 0.0 116.267 173.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.93 147.78 42.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.917 1.287 . . . . 0.0 111.091 169.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -104.91 140.07 38.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.154 1.382 . . . . 0.0 112.423 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.36 158.82 43.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.681 1.993 . . . . 0.0 111.603 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 m -110.12 7.08 23.3 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.608 1.163 . . . . 0.0 113.337 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.04 137.09 18.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.519 1.528 . . . . 0.0 111.407 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.44 -31.9 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.182 0.993 . . . . 0.0 113.082 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -70.31 -41.67 73.01 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.532 -0.73 . . . . 0.0 111.334 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -64.12 -39.52 94.21 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.638 0.775 . . . . 0.0 112.131 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.6 -47.88 84.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.76 0.709 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 -38.23 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.023 -1.048 . . . . 0.0 111.108 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.49 -37.71 87.05 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.084 0.954 . . . . 0.0 112.122 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.2 -50.17 69.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.177 0.591 . . . . 0.0 111.718 169.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.27 -51.3 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.614 0.766 . . . . 0.0 111.261 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -69.15 -15.09 63.33 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -94.27 -43.43 8.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.364 1.065 . . . . 0.0 112.744 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -25.34 15.28 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -170.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -131.86 -42.9 1.0 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t0 40.5 64.84 4.47 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 127.81 2.444 . . . . 0.0 114.214 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.54 -34.3 9.55 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.349 2.699 . . . . 0.0 114.314 -169.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -160.58 -33.85 0.05 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.989 1.716 . . . . 0.0 112.699 -175.73 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 112.117 -0.393 . . . . 0.0 112.117 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -67.32 149.69 50.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.513 1.125 . . . . 0.0 113.04 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -67.45 143.09 56.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.447 1.099 . . . . 0.0 112.846 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.53 -5.75 89.19 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.529 1.061 . . . . 0.0 115.101 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -142.9 168.47 19.64 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.473 1.909 . . . . 0.0 112.14 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -141.29 151.79 43.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.473 1.509 . . . . 0.0 111.503 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.22 -164.28 13.89 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.18 1.371 . . . . 0.0 113.385 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.5 mm -79.78 94.83 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.892 1.277 . . . . 0.0 109.309 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -68.74 134.49 49.86 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.446 1.098 . . . . 0.0 111.886 -169.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -141.67 169.22 18.0 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.681 1.592 . . . . 0.0 112.812 -169.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -131.11 151.91 50.95 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.993 0.917 . . . . 0.0 112.647 168.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.69 151.12 39.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.658 1.583 . . . . 0.0 112.182 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -88.47 -26.72 21.93 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.515 1.926 . . . . 0.0 112.549 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -108.44 -28.63 9.26 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -167.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.19 1.41 4.68 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 60.8 13.68 4.59 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.403 2.281 . . . . 0.0 116.496 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.11 147.63 50.26 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.591 1.957 . . . . 0.0 112.39 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -99.37 141.54 32.02 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.886 1.274 . . . . 0.0 111.816 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -133.02 144.47 50.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.499 1.52 . . . . 0.0 112.491 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 p -72.67 -22.07 60.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.443 1.497 . . . . 0.0 114.653 -172.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -148.43 154.98 40.62 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.357 1.463 . . . . 0.0 110.984 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.52 -31.8 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.423 -0.798 . . . . 0.0 112.946 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.94 -36.45 83.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.369 -0.832 . . . . 0.0 112.138 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.12 -33.84 68.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.233 0.613 . . . . 0.0 111.883 173.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -62.33 -47.91 82.16 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.785 0.72 . . . . 0.0 111.257 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.0 -39.87 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 120.953 -1.092 . . . . 0.0 110.963 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -60.46 -36.3 77.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.645 1.578 . . . . 0.0 112.361 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -68.28 -51.42 45.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.635 0.774 . . . . 0.0 111.92 170.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.1 mt -55.15 -51.38 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.964 0.906 . . . . 0.0 110.791 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -67.4 -12.53 60.47 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -100.77 -42.7 6.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 112.763 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.0 -26.19 15.1 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -170.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -131.57 -40.67 1.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.93 0.892 . . . . 0.0 113.399 -170.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 35.79 73.12 0.68 Allowed Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 129.098 2.959 . . . . 0.0 115.306 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -54.95 151.44 33.57 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.642 3.562 . . . . 0.0 114.413 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -83.67 -1.14 53.37 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.494 1.918 . . . . 0.0 112.806 -179.568 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -136.12 151.55 49.9 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.074 1.35 . . . . 0.0 112.165 -175.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -81.04 -0.87 41.69 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.95 -154.61 10.92 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.427 1.489 . . . . 0.0 112.819 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -72.53 179.37 3.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.982 1.313 . . . . 0.0 113.293 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -69.47 -3.75 15.83 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 173.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.36 175.11 14.04 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.847 1.689 . . . . 0.0 113.56 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.3 mt -83.04 138.23 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.775 1.23 . . . . 0.0 110.184 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -109.81 150.31 28.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.759 1.624 . . . . 0.0 110.51 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -97.61 155.16 17.1 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.747 1.219 . . . . 0.0 111.31 -174.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -146.09 151.85 38.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.11 153.08 22.69 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.192 1.397 . . . . 0.0 112.226 171.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -89.99 -37.08 14.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.493 1.517 . . . . 0.0 111.745 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -100.04 -31.96 11.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.224 1.41 . . . . 0.0 114.431 -167.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -123.65 -2.16 8.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.84 1.256 . . . . 0.0 114.148 174.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.285 63.2 mttp 57.08 26.12 11.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.244 2.217 . . . . 0.0 116.549 169.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.37 150.96 48.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.902 2.081 . . . . 0.0 111.077 168.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -102.96 140.76 36.82 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.84 1.256 . . . . 0.0 111.921 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -136.09 143.16 44.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.198 1.799 . . . . 0.0 111.8 -174.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -82.81 -6.38 59.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -150.0 142.3 24.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.6 1.56 . . . . 0.0 112.143 -172.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.98 -32.67 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.885 0.874 . . . . 0.0 113.123 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.43 -33.9 67.44 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.405 -0.81 . . . . 0.0 111.715 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -65.77 -41.62 91.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.557 0.743 . . . . 0.0 111.611 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -60.35 -48.34 82.17 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.26 0.624 . . . . 0.0 111.941 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.38 -39.73 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 121.063 -1.023 . . . . 0.0 111.096 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -63.43 -40.33 96.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.135 0.974 . . . . 0.0 111.854 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -60.69 -47.33 86.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.256 0.622 . . . . 0.0 111.807 170.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -57.87 -51.92 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.841 0.746 . . . . 0.0 111.092 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -69.5 -15.18 63.2 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.31 -43.86 9.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.408 1.083 . . . . 0.0 113.028 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.79 -25.07 14.49 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -169.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -131.22 -39.86 1.16 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 38.27 73.3 0.78 Allowed Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 128.64 2.776 . . . . 0.0 115.414 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.71 152.76 33.17 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 124.55 3.5 . . . . 0.0 114.376 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -75.78 -11.25 59.95 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.236 1.815 . . . . 0.0 112.643 -178.363 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -82.49 -20.31 37.07 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 m -68.94 141.17 55.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.631 1.173 . . . . 0.0 112.634 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.24 170.63 35.59 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.41 1.005 . . . . 0.0 113.803 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m -74.52 157.4 35.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.636 1.174 . . . . 0.0 112.825 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -76.96 -9.44 58.69 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.47 -159.84 51.64 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.775 1.178 . . . . 0.0 114.201 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.94 156.71 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.585 1.554 . . . . 0.0 112.445 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -75.12 -17.48 60.42 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -76.35 89.14 3.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.132 1.373 . . . . 0.0 111.168 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -131.79 151.79 51.42 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.045 1.338 . . . . 0.0 111.928 170.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.71 141.39 58.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.277 1.031 . . . . 0.0 110.943 171.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -81.8 -27.56 33.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.045 1.338 . . . . 0.0 112.218 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -103.69 -31.51 9.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -166.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -127.02 4.74 6.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 60.24 19.48 8.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.469 2.307 . . . . 0.0 116.132 168.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.8 153.52 43.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.745 1.618 . . . . 0.0 111.542 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -114.0 144.18 43.52 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.576 1.551 . . . . 0.0 111.881 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -133.35 146.53 51.37 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.575 1.15 . . . . 0.0 112.796 -169.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -79.41 -14.74 58.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -147.9 144.65 28.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.153 1.381 . . . . 0.0 111.258 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 p -66.61 -30.22 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.52 -33.62 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.375 -0.828 . . . . 0.0 111.779 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.33 -39.67 78.04 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.425 0.557 . . . . 0.0 111.41 172.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.1 tp -60.74 -47.56 85.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.616 0.766 . . . . 0.0 111.992 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.4 -39.08 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.071 -1.018 . . . . 0.0 111.06 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.83 -36.24 82.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.338 1.055 . . . . 0.0 112.208 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -65.0 -51.6 60.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.113 0.565 . . . . 0.0 111.397 169.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.3 -51.05 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.772 0.829 . . . . 0.0 111.46 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -69.09 -14.97 63.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -95.12 -43.12 8.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.393 1.077 . . . . 0.0 112.62 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.01 -26.15 15.65 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -132.84 -41.51 0.93 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -169.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 40.95 64.95 4.67 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 127.876 2.47 . . . . 0.0 114.314 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.94 -29.11 7.09 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.53 2.82 . . . . 0.0 114.568 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -143.94 -61.46 0.39 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.883 1.273 . . . . 0.0 112.451 -175.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.078 1.751 . . . . 0.0 112.869 -174.38 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -132.14 32.5 4.0 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.886 1.274 . . . . 0.0 113.19 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -60.29 127.64 32.8 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.13 -0.981 . . . . 0.0 111.149 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.66 -43.61 1.39 Allowed Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.36 1.457 . . . . 0.0 114.592 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.6 p -70.86 -16.86 62.73 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -73.25 -10.67 60.01 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 169.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.09 155.32 52.64 Favored Glycine 0 CA--C 1.538 1.52 0 CA-C-N 119.176 0.898 . . . . 0.0 113.279 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.56 150.16 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.24 1.416 . . . . 0.0 110.08 -175.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -96.53 58.77 1.75 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.378 1.471 . . . . 0.0 114.207 -171.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -69.22 151.2 46.59 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.43 -0.794 . . . . 0.0 111.826 171.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -135.4 153.21 51.88 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.989 0.916 . . . . 0.0 112.989 170.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.02 145.02 56.33 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.16 1.384 . . . . 0.0 112.416 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -82.16 -25.67 34.13 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.598 1.959 . . . . 0.0 112.638 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -110.89 -28.89 8.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -168.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -132.47 4.45 3.97 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 58.75 16.13 4.23 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.472 2.309 . . . . 0.0 116.781 172.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -62.31 149.83 41.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.644 1.578 . . . . 0.0 111.591 169.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.0 mtmt -101.42 138.67 38.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.695 1.198 . . . . 0.0 112.305 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -134.0 141.92 47.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.804 1.642 . . . . 0.0 111.889 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -78.39 -8.91 59.0 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.61 151.81 29.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.662 1.585 . . . . 0.0 110.787 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -62.34 -32.65 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.393 -0.817 . . . . 0.0 113.153 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -68.14 -34.71 76.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.272 -0.893 . . . . 0.0 112.012 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -70.06 -38.56 75.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.25 0.62 . . . . 0.0 111.16 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.37 -46.6 89.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.253 0.621 . . . . 0.0 111.676 169.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.72 -41.01 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 120.978 -1.076 . . . . 0.0 110.982 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -60.87 -40.3 92.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.25 1.02 . . . . 0.0 113.066 171.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -61.03 -46.98 88.52 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.368 0.531 . . . . 0.0 111.67 171.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.65 -51.08 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 111.181 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -18.32 63.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -95.77 -32.57 12.64 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.88 -21.98 11.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -129.48 -34.78 1.78 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.268 7.2 p-10 39.23 56.5 5.94 Favored Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 127.209 2.203 . . . . 0.0 115.828 176.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.46 -2.71 12.91 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 124.477 3.451 . . . . 0.0 114.521 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -89.57 10.94 21.09 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.544 1.538 . . . . 0.0 113.817 -174.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.602 1.561 . . . . 0.0 114.75 -179.864 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -67.35 145.21 55.32 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.404 1.082 . . . . 0.0 112.978 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -83.85 -26.0 29.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.617 1.167 . . . . 0.0 113.932 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.74 156.55 42.63 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.722 1.153 . . . . 0.0 114.029 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -140.2 140.45 35.87 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.665 1.586 . . . . 0.0 111.606 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 m -82.95 48.05 1.3 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.447 1.499 . . . . 0.0 112.806 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.06 -144.35 33.37 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.386 0.993 . . . . 0.0 112.936 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.91 153.28 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.572 1.149 . . . . 0.0 113.308 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -131.88 139.34 48.76 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.543 1.537 . . . . 0.0 110.948 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -106.86 146.46 30.93 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.357 1.463 . . . . 0.0 111.01 177.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -150.68 149.41 29.79 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.226 1.01 . . . . 0.0 112.57 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.08 129.14 34.92 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.715 1.206 . . . . 0.0 110.935 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -78.6 -17.91 55.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -96.64 -33.86 11.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.39 5.17 5.71 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt 63.23 18.21 10.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.002 2.121 . . . . 0.0 115.488 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.57 163.72 15.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.828 1.251 . . . . 0.0 112.491 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -117.47 141.99 47.68 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.068 1.747 . . . . 0.0 111.331 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.85 159.23 41.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.602 1.961 . . . . 0.0 112.048 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -86.9 -73.61 0.46 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.813 1.245 . . . . 0.0 111.393 174.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.17 142.18 28.82 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.915 1.286 . . . . 0.0 112.214 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -65.26 -29.39 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.199 -0.938 . . . . 0.0 113.009 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -69.57 -33.31 72.55 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.366 -0.834 . . . . 0.0 111.821 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -70.19 -41.03 74.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.363 0.665 . . . . 0.0 111.113 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -60.04 -47.66 84.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.655 0.782 . . . . 0.0 111.851 171.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.72 -39.33 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 111.298 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.0 -42.37 99.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.134 0.974 . . . . 0.0 111.621 173.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -59.8 -46.84 87.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.364 0.666 . . . . 0.0 111.794 171.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.62 -51.79 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 118.73 0.695 . . . . 0.0 111.101 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -70.0 -16.35 63.16 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -88.75 -43.91 10.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.366 1.067 . . . . 0.0 113.028 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.72 -24.79 14.33 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -169.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.57 -41.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -169.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 41.58 64.16 5.7 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 127.953 2.501 . . . . 0.0 114.728 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -67.51 156.79 64.64 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.815 3.01 . . . . 0.0 113.144 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -81.5 -3.92 54.45 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.574 1.95 . . . . 0.0 113.837 -179.797 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 t -148.57 164.21 34.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.442 1.497 . . . . 0.0 111.772 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 p -73.36 -20.54 60.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.87 1.268 . . . . 0.0 113.679 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.94 172.48 19.04 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.824 1.678 . . . . 0.0 113.408 175.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -71.93 -26.07 62.15 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.122 0.969 . . . . 0.0 113.481 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -149.59 146.41 27.3 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.344 1.858 . . . . 0.0 109.977 170.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.41 -146.01 48.46 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 123.722 0.677 . . . . 0.0 113.096 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.8 mm -125.21 143.22 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.558 1.943 . . . . 0.0 109.198 177.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -56.49 145.68 27.08 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.316 1.047 . . . . 0.0 112.449 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -114.02 139.32 49.37 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.091 1.756 . . . . 0.0 110.084 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -128.26 140.33 51.95 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.379 -0.826 . . . . 0.0 113.014 -169.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.8 132.4 47.35 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.012 0.911 . . . . 0.0 112.32 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -70.29 -24.69 63.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.241 1.816 . . . . 0.0 112.913 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.21 -30.02 6.76 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -168.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -131.16 7.28 4.61 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 59.21 17.4 5.65 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.379 2.272 . . . . 0.0 116.427 171.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -63.7 156.37 27.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.796 1.639 . . . . 0.0 111.748 169.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.41 137.87 53.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.835 1.254 . . . . 0.0 112.726 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -133.82 151.39 51.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.997 2.119 . . . . 0.0 111.275 -170.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.4 m -95.75 -4.22 44.43 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -146.02 140.29 26.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.169 1.388 . . . . 0.0 110.407 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.24 -28.56 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.283 0.633 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -68.4 -37.8 80.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.725 0.81 . . . . 0.0 111.534 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -68.25 -40.65 81.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.287 0.635 . . . . 0.0 110.991 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -59.34 -47.15 86.52 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.429 0.692 . . . . 0.0 111.717 170.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.95 -45.9 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 121.152 -0.968 . . . . 0.0 110.91 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.9 -31.31 70.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.923 1.238 . . . . 0.0 112.476 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -66.16 -50.15 64.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.643 0.656 . . . . 0.0 111.926 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.76 -46.55 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.101 0.864 . . . . 0.0 111.15 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.255 4.4 tpm_? -60.98 -23.39 65.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 129.157 2.983 . . . . 0.0 113.752 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -97.7 -44.26 6.84 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.179 1.391 . . . . 0.0 113.889 173.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.53 -27.14 14.17 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -168.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -135.94 3.47 2.94 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.88 132.48 66.76 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.148 1.779 . . . . 0.0 115.043 -168.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.62 -7.04 13.62 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.942 3.094 . . . . 0.0 114.433 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.75 36.89 27.38 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.656 1.583 . . . . 0.0 113.424 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.841 2.056 . . . . 0.0 112.885 -176.369 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 p80 . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.01 151.7 41.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.519 1.128 . . . . 0.0 110.708 169.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -116.44 7.07 13.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.318 1.847 . . . . 0.0 112.871 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -130.87 -28.52 1.98 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.838 1.655 . . . . 0.0 112.57 -172.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -134.73 4.19 3.31 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.394 1.478 . . . . 0.0 114.738 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 61.05 22.06 12.36 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.297 2.239 . . . . 0.0 116.558 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -64.28 167.37 6.81 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.589 1.156 . . . . 0.0 111.952 168.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -124.43 142.64 51.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.581 1.552 . . . . 0.0 111.796 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -133.87 147.87 51.2 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.498 1.919 . . . . 0.0 112.166 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -88.64 -4.18 58.62 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.19 140.88 21.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.111 1.365 . . . . 0.0 110.891 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.89 -31.43 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.07 -34.47 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.32 -0.863 . . . . 0.0 111.639 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -70.15 -38.52 75.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.222 0.609 . . . . 0.0 111.173 173.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.6 -46.88 88.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.452 0.701 . . . . 0.0 111.847 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.98 -37.76 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 120.999 -1.063 . . . . 0.0 111.2 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.43 -40.81 92.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.264 1.025 . . . . 0.0 112.029 171.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -63.12 -49.05 75.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.321 0.648 . . . . 0.0 111.836 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.28 -51.85 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.921 0.888 . . . . 0.0 111.143 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -69.28 -16.68 63.62 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.93 -44.17 9.05 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.318 1.047 . . . . 0.0 112.877 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.96 -24.36 15.41 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -131.2 -43.13 1.06 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -169.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 CA--C 1.553 1.09 0 C-N-CA 128.305 2.642 . . . . 0.0 114.612 179.616 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.1 p80 . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 121.088 0.47 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.5 145.78 54.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.486 1.114 . . . . 0.0 111.592 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -86.03 -28.0 24.43 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.466 1.906 . . . . 0.0 112.092 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -106.46 -30.6 8.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -167.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -128.2 5.59 5.84 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 59.37 16.85 5.4 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.574 2.35 . . . . 0.0 116.759 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -65.23 151.59 45.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.769 1.628 . . . . 0.0 111.83 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -102.96 144.52 31.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.228 1.411 . . . . 0.0 112.179 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -133.24 151.95 51.93 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.992 1.317 . . . . 0.0 113.373 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 p -82.78 -20.23 36.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.584 1.554 . . . . 0.0 114.305 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -152.48 149.77 28.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.523 1.529 . . . . 0.0 110.38 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.4 -30.63 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.492 -0.755 . . . . 0.0 112.368 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -68.42 -39.47 81.57 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.965 0.906 . . . . 0.0 111.549 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -67.14 -38.73 86.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.343 0.657 . . . . 0.0 111.28 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -61.95 -46.82 87.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.191 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.869 -1.145 . . . . 0.0 111.328 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.66 -34.53 75.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.05 0.94 . . . . 0.0 112.412 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -67.8 -52.14 40.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.063 0.545 . . . . 0.0 111.611 169.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.52 -50.61 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.881 0.872 . . . . 0.0 111.309 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -68.12 -15.45 63.59 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -96.91 -42.63 7.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.505 1.122 . . . . 0.0 112.672 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.61 -26.25 15.83 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -133.15 -42.99 0.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -169.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.554 1.113 0 C-N-CA 128.026 2.53 . . . . 0.0 114.432 178.47 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.2 p80 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.39 154.87 30.65 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.856 1.263 . . . . 0.0 111.93 171.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -93.89 -36.23 12.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.945 1.698 . . . . 0.0 111.971 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -97.22 -30.17 13.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -167.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -127.54 -1.75 6.16 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.009 1.324 . . . . 0.0 114.507 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.282 63.2 mttp 58.02 26.07 13.06 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.194 2.198 . . . . 0.0 116.536 169.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -66.69 154.04 41.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.374 1.87 . . . . 0.0 111.014 168.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -103.61 141.85 35.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.053 1.341 . . . . 0.0 112.58 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.89 149.13 51.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.272 1.829 . . . . 0.0 112.78 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 p -80.18 -18.66 49.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.573 1.549 . . . . 0.0 114.491 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -155.39 153.76 30.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.478 1.511 . . . . 0.0 111.166 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -63.62 -31.19 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.56 -35.01 75.0 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.359 -0.838 . . . . 0.0 111.928 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.75 -37.93 79.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.761 0.709 . . . . 0.0 111.657 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.52 -48.03 81.31 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.166 0.587 . . . . 0.0 112.213 170.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.24 -38.88 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.799 -1.188 . . . . 0.0 111.143 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.4 -34.8 75.97 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 112.444 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -68.46 -51.6 41.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.216 0.606 . . . . 0.0 111.703 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.6 mt -55.52 -50.46 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.881 0.873 . . . . 0.0 111.205 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -67.88 -13.04 61.82 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -99.72 -42.62 6.78 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.669 1.188 . . . . 0.0 112.645 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.63 -26.39 15.23 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -170.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -131.99 -41.54 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -169.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t0 . . . . . 0 CA--C 1.552 1.047 0 C-N-CA 128.966 2.906 . . . . 0.0 115.189 175.708 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.9 p80 . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.99 138.18 57.91 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.415 1.102 . . . . 0.0 111.481 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.21 -24.1 47.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.465 1.506 . . . . 0.0 111.604 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -108.68 -31.2 7.83 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.647 1.579 . . . . 0.0 114.456 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.89 4.24 3.82 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 60.35 15.66 5.61 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -61.69 148.29 43.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.968 1.307 . . . . 0.0 110.873 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -102.61 137.33 40.98 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.464 1.106 . . . . 0.0 112.787 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -134.91 133.71 39.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.794 1.637 . . . . 0.0 112.349 -175.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.44 -15.92 60.89 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -140.14 142.2 36.02 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 111.211 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.19 -30.36 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.407 0.683 . . . . 0.0 112.386 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.99 -39.49 93.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.118 0.967 . . . . 0.0 112.036 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -69.99 -37.52 75.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.175 0.59 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.88 -48.16 82.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.05 0.54 . . . . 0.0 111.511 169.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.92 -41.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.995 -1.066 . . . . 0.0 111.257 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.71 -38.33 90.03 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.592 0.757 . . . . 0.0 112.395 173.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -62.94 -47.1 84.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.576 0.625 . . . . 0.0 111.807 170.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.3 -52.11 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.772 0.829 . . . . 0.0 110.74 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -70.08 -12.41 61.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.8 -42.77 9.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.391 1.076 . . . . 0.0 112.877 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -25.33 14.01 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 -169.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -131.59 -38.96 1.14 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 128.389 2.676 . . . . 0.0 115.396 175.851 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 p80 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.65 142.42 52.97 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.493 1.139 . . . . 0.0 112.466 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.54 -27.13 41.29 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.328 1.851 . . . . 0.0 112.154 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -114.19 -29.81 6.83 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -168.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -126.34 6.1 7.01 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 58.48 14.79 3.17 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.687 2.395 . . . . 0.0 116.523 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -63.48 146.15 54.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.576 1.55 . . . . 0.0 111.803 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.91 141.18 28.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.657 1.183 . . . . 0.0 111.094 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.8 147.22 51.55 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.464 1.106 . . . . 0.0 113.724 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.1 p -79.86 -25.4 40.73 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.51 1.524 . . . . 0.0 114.244 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.68 149.35 28.31 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.58 1.552 . . . . 0.0 110.318 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.45 -32.07 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.504 0.722 . . . . 0.0 112.475 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.17 -39.49 78.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.131 0.972 . . . . 0.0 111.682 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -65.9 -41.68 91.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.884 0.874 . . . . 0.0 110.948 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.6 -46.88 88.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.436 1.094 . . . . 0.0 112.367 171.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.73 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.86 -1.15 . . . . 0.0 111.188 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.39 -36.6 82.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.954 0.902 . . . . 0.0 112.453 173.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -63.59 -47.71 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.273 0.629 . . . . 0.0 111.99 170.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.9 -49.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.964 0.802 . . . . 0.0 111.252 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -69.02 -14.37 63.0 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -97.06 -42.87 7.67 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.716 1.206 . . . . 0.0 113.006 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.21 -24.58 14.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -130.06 -34.04 1.71 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -170.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.25 8.2 p-10 . . . . . 0 CA--C 1.553 1.078 0 C-N-CA 128.191 2.596 . . . . 0.0 115.584 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.2 p80 . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 110.671 -0.122 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 25' ' ' LEU . 53.4 t -60.42 142.81 54.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 122.381 1.086 . . . . 0.0 112.486 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.23 -27.17 61.44 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.433 1.493 . . . . 0.0 111.826 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -111.51 -30.58 7.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.12 1.368 . . . . 0.0 114.557 -169.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -130.08 1.95 4.75 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 57.52 18.63 4.69 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.091 2.156 . . . . 0.0 116.265 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -59.7 135.51 57.71 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.03 1.332 . . . . 0.0 110.902 169.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -75.24 137.46 41.25 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.653 0.781 . . . . 0.0 111.516 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.52 147.85 51.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.959 1.704 . . . . 0.0 112.813 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 p -80.37 -23.89 40.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 114.585 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -153.22 151.98 30.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.608 1.563 . . . . 0.0 110.454 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.53 -36.13 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.563 -0.71 . . . . 0.0 112.795 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.85 -32.56 63.71 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.217 0.917 . . . . 0.0 112.304 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.55 -33.23 75.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.633 0.651 . . . . 0.0 111.108 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' CYS . 40.6 tp -69.56 -40.67 76.66 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 169.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.27 -43.9 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 120.445 -1.409 . . . . 0.0 110.413 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -60.44 -32.22 71.17 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.253 1.421 . . . . 0.0 113.016 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -72.41 -47.58 48.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.146 0.978 . . . . 0.0 112.148 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.84 -45.82 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.338 1.055 . . . . 0.0 111.322 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.96 -6.6 34.25 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.59 -44.55 4.04 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.646 1.178 . . . . 0.0 112.673 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.79 -23.81 15.25 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -135.55 18.69 3.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.796 1.238 . . . . 0.0 113.536 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 CA--C 1.552 1.027 0 C-N-CA 125.474 1.51 . . . . 0.0 112.678 -171.357 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.04 150.2 48.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 111.932 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -88.61 -23.53 23.05 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.358 1.863 . . . . 0.0 112.695 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.41 -28.74 8.41 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -167.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -130.32 0.5 4.58 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.34 17.95 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.031 2.132 . . . . 0.0 115.996 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.88 159.7 8.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.735 0.814 . . . . 0.0 110.937 167.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -128.08 137.82 52.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.087 1.355 . . . . 0.0 111.909 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -133.76 150.54 51.47 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.973 1.709 . . . . 0.0 112.883 -168.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.4 p -86.82 -9.48 55.7 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.381 1.472 . . . . 0.0 114.214 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.15 140.42 21.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.099 1.36 . . . . 0.0 110.992 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.22 -29.9 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.55 0.74 . . . . 0.0 112.921 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -70.44 -38.32 74.5 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.502 -0.748 . . . . 0.0 111.338 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -65.7 -40.26 92.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.412 0.551 . . . . 0.0 111.068 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.29 -44.07 95.71 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.548 0.739 . . . . 0.0 112.357 170.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.71 -38.97 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 120.707 -1.245 . . . . 0.0 111.445 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.18 -34.55 75.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.819 0.848 . . . . 0.0 112.151 171.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -66.87 -52.38 44.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.514 0.725 . . . . 0.0 111.935 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.3 mt -56.36 -48.75 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.079 0.854 . . . . 0.0 111.355 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.72 -10.16 58.83 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.38 -42.99 5.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.635 1.174 . . . . 0.0 112.579 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.12 -25.17 17.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -171.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.1 -46.71 1.12 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.8 0.84 . . . . 0.0 113.207 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 128.503 2.721 . . . . 0.0 115.171 176.131 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p80 . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.12 141.36 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.922 1.289 . . . . 0.0 111.617 170.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -80.96 -25.92 37.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.646 1.579 . . . . 0.0 112.33 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -107.49 -30.42 8.65 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -167.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -129.36 5.03 5.2 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 59.24 16.87 5.25 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.26 2.224 . . . . 0.0 116.183 170.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.97 150.59 37.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.295 1.438 . . . . 0.0 111.188 169.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -112.84 140.25 47.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.045 1.338 . . . . 0.0 112.555 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -136.63 145.36 44.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 111.736 -171.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -85.89 -4.03 59.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.03 136.69 22.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.848 1.659 . . . . 0.0 111.48 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.26 -30.24 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.949 0.9 . . . . 0.0 112.817 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.56 -42.71 70.75 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.339 -0.85 . . . . 0.0 111.18 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -61.35 -39.15 89.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.463 0.705 . . . . 0.0 112.15 171.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.63 -45.7 92.96 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.773 -0.579 . . . . 0.0 112.068 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.27 -38.4 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.883 -1.136 . . . . 0.0 111.281 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -62.43 -36.62 82.97 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.251 1.02 . . . . 0.0 112.244 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.71 -51.22 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.621 0.646 . . . . 0.0 111.623 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.24 -51.28 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.758 0.823 . . . . 0.0 111.267 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.3 -12.73 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.16 -43.46 7.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.396 1.078 . . . . 0.0 112.661 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.1 -26.08 16.18 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -131.78 -43.04 1.0 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -170.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.554 1.117 0 C-N-CA 127.94 2.496 . . . . 0.0 114.379 177.112 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.4 p80 . . . . . 0 CA--C 1.539 0.558 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.76 144.98 55.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.156 1.382 . . . . 0.0 112.222 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -82.04 -23.08 36.09 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.079 1.752 . . . . 0.0 112.514 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -111.74 -28.31 8.15 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -132.35 2.06 3.84 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 59.75 14.73 4.29 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.184 2.194 . . . . 0.0 116.472 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -60.28 144.5 50.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.914 1.286 . . . . 0.0 111.537 169.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.91 139.31 38.64 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.902 1.281 . . . . 0.0 112.272 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -133.6 140.07 46.91 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.543 1.537 . . . . 0.0 111.966 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -74.28 -15.97 60.96 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.55 151.52 39.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.424 1.089 . . . . 0.0 112.488 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.2 -33.32 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.224 1.01 . . . . 0.0 113.15 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.98 -35.29 76.55 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.242 -0.912 . . . . 0.0 111.865 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -68.44 -36.66 79.35 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.747 0.703 . . . . 0.0 111.388 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.22 -45.42 93.43 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.954 -0.466 . . . . 0.0 111.593 169.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.51 -38.15 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.686 -1.259 . . . . 0.0 111.303 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.04 -33.28 74.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.315 1.046 . . . . 0.0 112.502 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -69.49 -51.42 36.04 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.365 0.666 . . . . 0.0 111.777 169.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.69 -50.5 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.972 0.909 . . . . 0.0 111.028 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.36 -12.36 60.01 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -176.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.16 -42.79 5.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.809 1.243 . . . . 0.0 112.773 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.34 -26.06 16.05 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -132.3 -43.01 0.95 Allowed 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -170.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.554 1.121 0 C-N-CA 128.724 2.809 . . . . 0.0 115.21 179.811 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.4 p80 . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.4 145.2 55.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.308 1.443 . . . . 0.0 111.785 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -86.23 -22.55 26.84 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.138 1.775 . . . . 0.0 112.662 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -109.15 -29.74 8.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -167.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -130.7 2.79 4.49 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 mttp 60.36 15.43 5.43 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.26 2.224 . . . . 0.0 116.412 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -61.37 160.24 11.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.699 1.199 . . . . 0.0 111.408 168.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -130.46 136.51 49.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.569 1.148 . . . . 0.0 111.824 -169.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -133.77 154.51 50.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.558 1.543 . . . . 0.0 113.302 -168.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 p -81.69 -17.75 46.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.131 1.773 . . . . 0.0 114.809 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -148.9 148.82 30.3 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 109.527 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.41 -30.18 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 111.53 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -62.45 -44.48 96.3 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.979 1.312 . . . . 0.0 111.195 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -69.85 -39.33 76.45 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.383 1.073 . . . . 0.0 111.354 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.48 -46.43 88.81 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.739 0.815 . . . . 0.0 111.781 170.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.58 -37.98 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.021 -1.05 . . . . 0.0 111.171 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.06 78.47 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.861 0.864 . . . . 0.0 111.864 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -65.63 -52.88 48.46 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.823 -0.548 . . . . 0.0 111.324 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -55.76 -49.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.213 1.005 . . . . 0.0 111.645 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -16.56 64.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -176.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -98.44 -38.96 9.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.355 1.062 . . . . 0.0 113.087 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.26 -27.76 15.34 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -169.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -136.01 -41.15 0.67 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 128.744 2.818 . . . . 0.0 115.759 179.637 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.21 140.36 58.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.125 1.37 . . . . 0.0 111.901 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -78.08 -23.08 48.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -111.63 -30.28 7.41 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -168.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -134.24 6.1 3.57 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 59.64 14.26 3.9 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 127.574 2.35 . . . . 0.0 116.883 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -61.15 151.31 31.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.205 1.802 . . . . 0.0 111.129 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.72 137.01 54.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.257 1.023 . . . . 0.0 112.922 -169.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -133.64 143.0 48.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.635 1.574 . . . . 0.0 112.277 -169.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 m -75.02 -15.3 60.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -146.23 146.38 30.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.644 1.577 . . . . 0.0 110.44 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.18 -29.92 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.674 -0.641 . . . . 0.0 112.366 178.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -64.32 -38.96 92.9 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.992 -1.067 . . . . 0.0 111.679 176.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -68.29 -34.28 75.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.248 0.619 . . . . 0.0 111.834 172.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.79 -47.98 78.73 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 118.734 -0.65 . . . . 0.0 112.084 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.45 -38.41 74.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 120.591 1.541 . . . . 0.0 111.707 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -33.71 76.01 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.571 0.748 . . . . 0.0 112.301 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -68.66 -51.0 46.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.587 0.755 . . . . 0.0 111.534 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.79 -49.64 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.15 0.98 . . . . 0.0 111.357 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -67.29 -14.49 62.96 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.24 -42.51 7.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.675 1.19 . . . . 0.0 112.622 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.77 -26.61 15.07 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.12 -42.31 0.88 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -169.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 CA--C 1.555 1.149 0 C-N-CA 128.194 2.598 . . . . 0.0 114.98 175.917 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.71 146.0 55.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.119 1.368 . . . . 0.0 111.69 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -84.28 -31.64 24.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.674 1.59 . . . . 0.0 112.139 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -100.56 -29.95 12.06 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.37 5.47 4.8 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 59.81 15.28 4.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.532 2.333 . . . . 0.0 116.635 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -63.53 151.29 41.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.826 1.651 . . . . 0.0 111.745 171.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -105.14 141.77 36.1 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.006 1.322 . . . . 0.0 112.513 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -133.95 153.17 51.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.989 1.716 . . . . 0.0 113.14 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 p -90.27 -10.04 45.68 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.57 1.948 . . . . 0.0 115.069 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -153.12 150.82 29.49 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.875 1.67 . . . . 0.0 109.263 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.28 -30.19 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.327 -0.858 . . . . 0.0 111.702 169.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -62.96 -43.17 99.53 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 111.3 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.25 -37.48 74.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.202 1.001 . . . . 0.0 111.37 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.05 -46.94 88.63 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.286 0.635 . . . . 0.0 111.927 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.41 -38.77 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 120.796 -1.19 . . . . 0.0 111.499 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -62.36 -33.22 74.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 0.0 112.553 172.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -68.25 -51.69 42.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.535 0.607 . . . . 0.0 111.691 169.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -55.13 -51.13 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.036 0.934 . . . . 0.0 111.29 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -68.32 -14.53 63.06 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -97.08 -42.42 7.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.58 1.152 . . . . 0.0 112.598 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.85 -26.24 15.17 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -133.33 -42.83 0.86 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 127.956 2.502 . . . . 0.0 114.664 178.523 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.2 p80 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.32 143.8 57.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.884 1.273 . . . . 0.0 111.879 172.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -80.24 -24.99 39.77 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.201 1.8 . . . . 0.0 112.642 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -110.98 -29.35 7.95 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -167.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.68 1.26 4.94 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 59.06 18.03 6.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.997 2.119 . . . . 0.0 116.229 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -59.61 146.48 40.74 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.786 1.234 . . . . 0.0 110.848 168.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.75 139.29 42.56 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.92 1.288 . . . . 0.0 112.418 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -133.71 146.34 50.71 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.87 1.668 . . . . 0.0 112.057 -173.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -90.48 -1.18 57.89 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.088 1.355 . . . . 0.0 113.511 171.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.14 135.15 20.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.733 1.613 . . . . 0.0 111.679 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.71 -31.85 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.578 0.751 . . . . 0.0 112.791 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.53 -37.66 71.13 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.406 -0.809 . . . . 0.0 111.732 177.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -60.51 -44.65 95.78 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.786 0.834 . . . . 0.0 111.335 169.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -60.18 -46.07 90.96 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.444 0.698 . . . . 0.0 112.364 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.07 -39.58 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.29 -31.64 72.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.376 1.07 . . . . 0.0 112.228 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -69.74 -49.82 49.39 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.866 0.866 . . . . 0.0 111.695 169.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.68 -48.17 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.932 0.893 . . . . 0.0 111.32 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.25 -12.75 60.91 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.1 -40.15 7.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.716 1.206 . . . . 0.0 113.001 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.23 -24.88 13.86 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -169.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -131.61 -35.14 1.31 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -169.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.258 7.4 p-10 . . . . . 0 CA--C 1.556 1.186 0 C-N-CA 127.377 2.271 . . . . 0.0 115.383 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.1 p80 . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.36 146.29 54.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.548 1.139 . . . . 0.0 111.859 171.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -85.07 -25.25 27.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.28 1.832 . . . . 0.0 112.716 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -110.44 -28.91 8.32 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -168.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.48 1.79 5.61 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.01 18.73 6.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.991 2.116 . . . . 0.0 116.267 173.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.93 147.78 42.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.917 1.287 . . . . 0.0 111.091 169.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -104.91 140.07 38.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.154 1.382 . . . . 0.0 112.423 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.36 158.82 43.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.681 1.993 . . . . 0.0 111.603 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 m -110.12 7.08 23.3 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.608 1.163 . . . . 0.0 113.337 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.04 137.09 18.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.519 1.528 . . . . 0.0 111.407 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.44 -31.9 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.182 0.993 . . . . 0.0 113.082 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -70.31 -41.67 73.01 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.532 -0.73 . . . . 0.0 111.334 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -64.12 -39.52 94.21 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.638 0.775 . . . . 0.0 112.131 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.6 -47.88 84.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.76 0.709 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 -38.23 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.023 -1.048 . . . . 0.0 111.108 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.49 -37.71 87.05 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.084 0.954 . . . . 0.0 112.122 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.2 -50.17 69.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.177 0.591 . . . . 0.0 111.718 169.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.27 -51.3 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.614 0.766 . . . . 0.0 111.261 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -69.15 -15.09 63.33 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -94.27 -43.43 8.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.364 1.065 . . . . 0.0 112.744 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -25.34 15.28 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -170.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -131.86 -42.9 1.0 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 CA--C 1.554 1.112 0 C-N-CA 127.81 2.444 . . . . 0.0 114.214 177.405 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 . . . . . 0 CA--C 1.54 0.558 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.69 151.12 39.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.658 1.583 . . . . 0.0 112.182 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -88.47 -26.72 21.93 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.515 1.926 . . . . 0.0 112.549 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -108.44 -28.63 9.26 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -167.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.19 1.41 4.68 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 60.8 13.68 4.59 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.403 2.281 . . . . 0.0 116.496 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.11 147.63 50.26 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.591 1.957 . . . . 0.0 112.39 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -99.37 141.54 32.02 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.886 1.274 . . . . 0.0 111.816 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -133.02 144.47 50.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.499 1.52 . . . . 0.0 112.491 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 p -72.67 -22.07 60.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.443 1.497 . . . . 0.0 114.653 -172.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -148.43 154.98 40.62 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.357 1.463 . . . . 0.0 110.984 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.52 -31.8 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.423 -0.798 . . . . 0.0 112.946 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.94 -36.45 83.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.369 -0.832 . . . . 0.0 112.138 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.12 -33.84 68.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.233 0.613 . . . . 0.0 111.883 173.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -62.33 -47.91 82.16 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.785 0.72 . . . . 0.0 111.257 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.0 -39.87 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 120.953 -1.092 . . . . 0.0 110.963 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -60.46 -36.3 77.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.645 1.578 . . . . 0.0 112.361 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -68.28 -51.42 45.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.635 0.774 . . . . 0.0 111.92 170.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.1 mt -55.15 -51.38 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.964 0.906 . . . . 0.0 110.791 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -67.4 -12.53 60.47 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -100.77 -42.7 6.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 112.763 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.0 -26.19 15.1 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -170.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -131.57 -40.67 1.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.93 0.892 . . . . 0.0 113.399 -170.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.553 1.067 0 C-N-CA 129.098 2.959 . . . . 0.0 115.306 177.442 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.4 p80 . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.11 153.08 22.69 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.192 1.397 . . . . 0.0 112.226 171.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -89.99 -37.08 14.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.493 1.517 . . . . 0.0 111.745 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -100.04 -31.96 11.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.224 1.41 . . . . 0.0 114.431 -167.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -123.65 -2.16 8.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.84 1.256 . . . . 0.0 114.148 174.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.285 63.2 mttp 57.08 26.12 11.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.244 2.217 . . . . 0.0 116.549 169.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.37 150.96 48.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.902 2.081 . . . . 0.0 111.077 168.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -102.96 140.76 36.82 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.84 1.256 . . . . 0.0 111.921 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -136.09 143.16 44.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.198 1.799 . . . . 0.0 111.8 -174.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -82.81 -6.38 59.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -150.0 142.3 24.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.6 1.56 . . . . 0.0 112.143 -172.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.98 -32.67 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.885 0.874 . . . . 0.0 113.123 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.43 -33.9 67.44 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.405 -0.81 . . . . 0.0 111.715 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -65.77 -41.62 91.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.557 0.743 . . . . 0.0 111.611 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -60.35 -48.34 82.17 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.26 0.624 . . . . 0.0 111.941 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.38 -39.73 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 121.063 -1.023 . . . . 0.0 111.096 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -63.43 -40.33 96.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.135 0.974 . . . . 0.0 111.854 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -60.69 -47.33 86.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.256 0.622 . . . . 0.0 111.807 170.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -57.87 -51.92 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.841 0.746 . . . . 0.0 111.092 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -69.5 -15.18 63.2 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.31 -43.86 9.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.408 1.083 . . . . 0.0 113.028 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.79 -25.07 14.49 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -169.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -131.22 -39.86 1.16 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.552 1.049 0 C-N-CA 128.64 2.776 . . . . 0.0 115.414 176.779 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p80 . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 121.163 0.506 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.71 141.39 58.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.277 1.031 . . . . 0.0 110.943 171.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -81.8 -27.56 33.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.045 1.338 . . . . 0.0 112.218 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -103.69 -31.51 9.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -166.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -127.02 4.74 6.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 60.24 19.48 8.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.469 2.307 . . . . 0.0 116.132 168.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.8 153.52 43.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.745 1.618 . . . . 0.0 111.542 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -114.0 144.18 43.52 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.576 1.551 . . . . 0.0 111.881 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -133.35 146.53 51.37 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.575 1.15 . . . . 0.0 112.796 -169.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -79.41 -14.74 58.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -147.9 144.65 28.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.153 1.381 . . . . 0.0 111.258 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 p -66.61 -30.22 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.52 -33.62 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.375 -0.828 . . . . 0.0 111.779 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.33 -39.67 78.04 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.425 0.557 . . . . 0.0 111.41 172.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.1 tp -60.74 -47.56 85.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.616 0.766 . . . . 0.0 111.992 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.4 -39.08 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.071 -1.018 . . . . 0.0 111.06 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.83 -36.24 82.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.338 1.055 . . . . 0.0 112.208 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -65.0 -51.6 60.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.113 0.565 . . . . 0.0 111.397 169.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.3 -51.05 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.772 0.829 . . . . 0.0 111.46 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -69.09 -14.97 63.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -95.12 -43.12 8.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.393 1.077 . . . . 0.0 112.62 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.01 -26.15 15.65 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -132.84 -41.51 0.93 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -169.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.554 1.126 0 C-N-CA 127.876 2.47 . . . . 0.0 114.314 177.793 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.02 145.02 56.33 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.16 1.384 . . . . 0.0 112.416 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -82.16 -25.67 34.13 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.598 1.959 . . . . 0.0 112.638 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -110.89 -28.89 8.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -168.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -132.47 4.45 3.97 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 58.75 16.13 4.23 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.472 2.309 . . . . 0.0 116.781 172.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -62.31 149.83 41.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.644 1.578 . . . . 0.0 111.591 169.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.0 mtmt -101.42 138.67 38.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.695 1.198 . . . . 0.0 112.305 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -134.0 141.92 47.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.804 1.642 . . . . 0.0 111.889 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -78.39 -8.91 59.0 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.61 151.81 29.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.662 1.585 . . . . 0.0 110.787 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -62.34 -32.65 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.393 -0.817 . . . . 0.0 113.153 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -68.14 -34.71 76.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.272 -0.893 . . . . 0.0 112.012 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -70.06 -38.56 75.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.25 0.62 . . . . 0.0 111.16 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.37 -46.6 89.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.253 0.621 . . . . 0.0 111.676 169.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.72 -41.01 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 120.978 -1.076 . . . . 0.0 110.982 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -60.87 -40.3 92.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.25 1.02 . . . . 0.0 113.066 171.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -61.03 -46.98 88.52 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.368 0.531 . . . . 0.0 111.67 171.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.65 -51.08 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 111.181 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -18.32 63.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -95.77 -32.57 12.64 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.88 -21.98 11.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -129.48 -34.78 1.78 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.268 7.2 p-10 . . . . . 0 CA--C 1.557 1.235 0 C-N-CA 127.209 2.203 . . . . 0.0 115.828 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.08 129.14 34.92 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.715 1.206 . . . . 0.0 110.935 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -78.6 -17.91 55.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -96.64 -33.86 11.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.39 5.17 5.71 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt 63.23 18.21 10.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.002 2.121 . . . . 0.0 115.488 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.57 163.72 15.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.828 1.251 . . . . 0.0 112.491 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -117.47 141.99 47.68 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.068 1.747 . . . . 0.0 111.331 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.85 159.23 41.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.602 1.961 . . . . 0.0 112.048 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -86.9 -73.61 0.46 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.813 1.245 . . . . 0.0 111.393 174.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.17 142.18 28.82 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.915 1.286 . . . . 0.0 112.214 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -65.26 -29.39 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.199 -0.938 . . . . 0.0 113.009 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -69.57 -33.31 72.55 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.366 -0.834 . . . . 0.0 111.821 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -70.19 -41.03 74.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.363 0.665 . . . . 0.0 111.113 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -60.04 -47.66 84.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.655 0.782 . . . . 0.0 111.851 171.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.72 -39.33 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 111.298 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.0 -42.37 99.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.134 0.974 . . . . 0.0 111.621 173.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -59.8 -46.84 87.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.364 0.666 . . . . 0.0 111.794 171.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.62 -51.79 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 118.73 0.695 . . . . 0.0 111.101 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -70.0 -16.35 63.16 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -88.75 -43.91 10.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.366 1.067 . . . . 0.0 113.028 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.72 -24.79 14.33 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -169.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.57 -41.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -169.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.553 1.094 0 C-N-CA 127.953 2.501 . . . . 0.0 114.728 175.11 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.5 m170 . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.8 132.4 47.35 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.012 0.911 . . . . 0.0 112.32 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -70.29 -24.69 63.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.241 1.816 . . . . 0.0 112.913 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.21 -30.02 6.76 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -168.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -131.16 7.28 4.61 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 59.21 17.4 5.65 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.379 2.272 . . . . 0.0 116.427 171.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -63.7 156.37 27.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.796 1.639 . . . . 0.0 111.748 169.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.41 137.87 53.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.835 1.254 . . . . 0.0 112.726 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -133.82 151.39 51.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.997 2.119 . . . . 0.0 111.275 -170.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.4 m -95.75 -4.22 44.43 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -146.02 140.29 26.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.169 1.388 . . . . 0.0 110.407 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.24 -28.56 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.283 0.633 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -68.4 -37.8 80.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.725 0.81 . . . . 0.0 111.534 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -68.25 -40.65 81.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.287 0.635 . . . . 0.0 110.991 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -59.34 -47.15 86.52 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.429 0.692 . . . . 0.0 111.717 170.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.95 -45.9 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 121.152 -0.968 . . . . 0.0 110.91 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.9 -31.31 70.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.923 1.238 . . . . 0.0 112.476 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -66.16 -50.15 64.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.643 0.656 . . . . 0.0 111.926 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.76 -46.55 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.101 0.864 . . . . 0.0 111.15 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.255 4.4 tpm_? -60.98 -23.39 65.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 129.157 2.983 . . . . 0.0 113.752 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -97.7 -44.26 6.84 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.179 1.391 . . . . 0.0 113.889 173.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.53 -27.14 14.17 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -168.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -135.94 3.47 2.94 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 CA--C 1.55 0.944 0 C-N-CA 126.148 1.779 . . . . 0.0 115.043 -168.41 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -76.64 -22.31 54.27 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -95.74 151.08 19.69 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.624 1.569 . . . . 0.0 113.036 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.04 165.56 17.17 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.786 1.184 . . . . 0.0 113.578 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -93.14 -5.65 49.72 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.316 1.446 . . . . 0.0 114.327 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -79.93 64.16 4.69 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.885 1.674 . . . . 0.0 112.996 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.02 165.05 35.12 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.99 1.281 . . . . 0.0 113.608 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.3 pt -83.92 165.79 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.612 1.165 . . . . 0.0 112.574 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -125.01 127.5 47.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.076 1.35 . . . . 0.0 110.438 172.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -130.78 158.6 39.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.336 1.854 . . . . 0.0 110.441 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -136.31 149.58 48.49 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.01 151.7 41.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.519 1.128 . . . . 0.0 110.708 169.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -116.44 7.07 13.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.318 1.847 . . . . 0.0 112.871 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -130.87 -28.52 1.98 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.838 1.655 . . . . 0.0 112.57 -172.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -134.73 4.19 3.31 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.394 1.478 . . . . 0.0 114.738 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 61.05 22.06 12.36 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.297 2.239 . . . . 0.0 116.558 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -64.28 167.37 6.81 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.589 1.156 . . . . 0.0 111.952 168.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -124.43 142.64 51.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.581 1.552 . . . . 0.0 111.796 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -133.87 147.87 51.2 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.498 1.919 . . . . 0.0 112.166 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -88.64 -4.18 58.62 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.19 140.88 21.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.111 1.365 . . . . 0.0 110.891 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.89 -31.43 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.07 -34.47 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.32 -0.863 . . . . 0.0 111.639 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -70.15 -38.52 75.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.222 0.609 . . . . 0.0 111.173 173.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.6 -46.88 88.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.452 0.701 . . . . 0.0 111.847 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.98 -37.76 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 120.999 -1.063 . . . . 0.0 111.2 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.43 -40.81 92.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.264 1.025 . . . . 0.0 112.029 171.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -63.12 -49.05 75.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.321 0.648 . . . . 0.0 111.836 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.28 -51.85 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.921 0.888 . . . . 0.0 111.143 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -69.28 -16.68 63.62 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.93 -44.17 9.05 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.318 1.047 . . . . 0.0 112.877 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.96 -24.36 15.41 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -131.2 -43.13 1.06 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -169.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.1 t0 38.81 68.2 2.0 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 128.305 2.642 . . . . 0.0 114.612 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.24 -1.55 9.79 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.126 3.217 . . . . 0.0 114.711 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -80.47 -10.84 59.74 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.7 1.2 . . . . 0.0 113.576 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.485 1.514 . . . . 0.0 113.954 177.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 N-CA-C 111.929 -0.469 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -147.17 164.97 31.42 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.533 1.533 . . . . 0.0 112.066 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -146.05 177.17 9.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.534 1.533 . . . . 0.0 111.437 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 -26.68 63.36 Favored Glycine 0 CA--C 1.54 1.605 0 O-C-N 120.932 -1.105 . . . . 0.0 113.338 172.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -73.24 -13.2 61.1 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.383 1.473 . . . . 0.0 114.176 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -74.46 -13.58 60.72 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.279 1.032 . . . . 0.0 113.239 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.91 179.2 42.63 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.156 1.36 . . . . 0.0 114.427 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.8 pt -92.66 156.58 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.829 1.251 . . . . 0.0 112.6 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -143.68 145.62 32.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.138 1.775 . . . . 0.0 110.453 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -128.36 122.91 32.59 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.447 1.099 . . . . 0.0 110.543 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -142.26 153.85 44.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.491 1.116 . . . . 0.0 112.253 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.5 145.78 54.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.486 1.114 . . . . 0.0 111.592 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -86.03 -28.0 24.43 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.466 1.906 . . . . 0.0 112.092 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -106.46 -30.6 8.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -167.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -128.2 5.59 5.84 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 59.37 16.85 5.4 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.574 2.35 . . . . 0.0 116.759 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -65.23 151.59 45.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.769 1.628 . . . . 0.0 111.83 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -102.96 144.52 31.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.228 1.411 . . . . 0.0 112.179 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -133.24 151.95 51.93 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.992 1.317 . . . . 0.0 113.373 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 p -82.78 -20.23 36.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.584 1.554 . . . . 0.0 114.305 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -152.48 149.77 28.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.523 1.529 . . . . 0.0 110.38 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.4 -30.63 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.492 -0.755 . . . . 0.0 112.368 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -68.42 -39.47 81.57 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.965 0.906 . . . . 0.0 111.549 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -67.14 -38.73 86.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.343 0.657 . . . . 0.0 111.28 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -61.95 -46.82 87.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.191 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.869 -1.145 . . . . 0.0 111.328 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.66 -34.53 75.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.05 0.94 . . . . 0.0 112.412 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -67.8 -52.14 40.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.063 0.545 . . . . 0.0 111.611 169.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.52 -50.61 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.881 0.872 . . . . 0.0 111.309 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -68.12 -15.45 63.59 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -96.91 -42.63 7.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.505 1.122 . . . . 0.0 112.672 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.61 -26.25 15.83 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -133.15 -42.99 0.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -169.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 40.07 63.78 4.9 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 128.026 2.53 . . . . 0.0 114.432 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.18 155.1 52.1 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 124.143 3.229 . . . . 0.0 113.782 -170.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -95.45 4.02 53.69 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.408 1.483 . . . . 0.0 113.283 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.833 2.053 . . . . 0.0 112.474 -175.11 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.104 -0.399 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -81.71 -8.01 59.65 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 p -74.41 168.07 20.43 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.661 1.585 . . . . 0.0 113.353 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.89 -147.44 24.98 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.238 0.923 . . . . 0.0 113.724 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 t -145.34 154.21 42.07 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.576 1.551 . . . . 0.0 111.973 -173.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -76.39 4.0 9.91 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.826 1.25 . . . . 0.0 113.27 169.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.12 -57.72 5.06 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.716 1.627 . . . . 0.0 112.671 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.4 mm -82.0 113.08 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.609 1.164 . . . . 0.0 109.951 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -80.11 154.89 27.78 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.724 1.209 . . . . 0.0 110.787 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -130.03 161.23 31.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.433 1.493 . . . . 0.0 111.188 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -141.97 151.8 42.87 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 173.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.39 154.87 30.65 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.856 1.263 . . . . 0.0 111.93 171.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -93.89 -36.23 12.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.945 1.698 . . . . 0.0 111.971 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -97.22 -30.17 13.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -167.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -127.54 -1.75 6.16 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.009 1.324 . . . . 0.0 114.507 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.282 63.2 mttp 58.02 26.07 13.06 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.194 2.198 . . . . 0.0 116.536 169.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -66.69 154.04 41.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.374 1.87 . . . . 0.0 111.014 168.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -103.61 141.85 35.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.053 1.341 . . . . 0.0 112.58 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.89 149.13 51.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.272 1.829 . . . . 0.0 112.78 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 p -80.18 -18.66 49.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.573 1.549 . . . . 0.0 114.491 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -155.39 153.76 30.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.478 1.511 . . . . 0.0 111.166 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -63.62 -31.19 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.56 -35.01 75.0 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.359 -0.838 . . . . 0.0 111.928 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.75 -37.93 79.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.761 0.709 . . . . 0.0 111.657 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.52 -48.03 81.31 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.166 0.587 . . . . 0.0 112.213 170.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.24 -38.88 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.799 -1.188 . . . . 0.0 111.143 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.4 -34.8 75.97 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 112.444 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -68.46 -51.6 41.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.216 0.606 . . . . 0.0 111.703 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.6 mt -55.52 -50.46 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.881 0.873 . . . . 0.0 111.205 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -67.88 -13.04 61.82 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -99.72 -42.62 6.78 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.669 1.188 . . . . 0.0 112.645 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.63 -26.39 15.23 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -170.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -131.99 -41.54 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -169.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t0 37.92 80.67 0.27 Allowed Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 128.966 2.906 . . . . 0.0 115.189 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.68 -8.92 24.84 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.48 2.786 . . . . 0.0 114.242 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 55.49 38.38 30.17 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.134 1.774 . . . . 0.0 114.022 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.459 1.904 . . . . 0.0 112.759 -179.119 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.6 p -84.19 -12.65 54.52 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.2 p 52.98 17.58 0.92 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.342 1.857 . . . . 0.0 115.082 -169.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.34 6.05 87.77 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.334 1.445 . . . . 0.0 115.633 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -141.63 -21.12 0.74 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -79.39 157.27 27.63 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.318 0.963 . . . . 0.0 112.488 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.34 -170.06 37.84 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.102 1.334 . . . . 0.0 113.392 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.5 pt -128.57 159.02 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.438 1.495 . . . . 0.0 112.675 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -127.97 164.6 21.98 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.363 1.865 . . . . 0.0 110.633 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -114.47 160.68 18.92 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.125 1.37 . . . . 0.0 112.294 -174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -131.46 151.76 51.28 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.069 0.947 . . . . 0.0 111.879 169.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.99 138.18 57.91 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.415 1.102 . . . . 0.0 111.481 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.21 -24.1 47.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.465 1.506 . . . . 0.0 111.604 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -108.68 -31.2 7.83 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.647 1.579 . . . . 0.0 114.456 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.89 4.24 3.82 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 60.35 15.66 5.61 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -61.69 148.29 43.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.968 1.307 . . . . 0.0 110.873 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -102.61 137.33 40.98 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.464 1.106 . . . . 0.0 112.787 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -134.91 133.71 39.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.794 1.637 . . . . 0.0 112.349 -175.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.44 -15.92 60.89 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -140.14 142.2 36.02 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 111.211 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.19 -30.36 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.407 0.683 . . . . 0.0 112.386 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.99 -39.49 93.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.118 0.967 . . . . 0.0 112.036 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -69.99 -37.52 75.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.175 0.59 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.88 -48.16 82.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.05 0.54 . . . . 0.0 111.511 169.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.92 -41.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.995 -1.066 . . . . 0.0 111.257 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.71 -38.33 90.03 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.592 0.757 . . . . 0.0 112.395 173.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -62.94 -47.1 84.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.576 0.625 . . . . 0.0 111.807 170.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.3 -52.11 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.772 0.829 . . . . 0.0 110.74 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -70.08 -12.41 61.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.8 -42.77 9.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.391 1.076 . . . . 0.0 112.877 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -25.33 14.01 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 -169.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -131.59 -38.96 1.14 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.3 t0 41.28 61.53 7.53 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 128.389 2.676 . . . . 0.0 115.396 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -74.99 -38.16 1.72 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.34 2.693 . . . . 0.0 113.377 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -148.62 -55.51 0.2 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.85 1.66 . . . . 0.0 112.043 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.353 1.861 . . . . 0.0 113.065 -174.236 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -64.32 -17.51 63.74 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -172.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 p -75.85 -12.73 60.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.423 1.489 . . . . 0.0 114.242 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.64 -168.94 50.86 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.736 1.16 . . . . 0.0 114.612 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 m -138.62 147.84 43.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.337 1.455 . . . . 0.0 112.281 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 m -74.4 158.47 33.84 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.763 1.225 . . . . 0.0 112.496 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.97 -20.56 0.17 Allowed Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.012 1.165 . . . . 0.0 116.012 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.1 mm -75.77 120.23 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 118.717 1.258 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.01 131.94 41.89 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.42 1.088 . . . . 0.0 110.613 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -89.84 119.44 30.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.283 0.633 . . . . 0.0 111.631 -172.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -142.26 153.96 44.36 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.667 1.187 . . . . 0.0 111.862 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.65 142.42 52.97 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.493 1.139 . . . . 0.0 112.466 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.54 -27.13 41.29 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.328 1.851 . . . . 0.0 112.154 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -114.19 -29.81 6.83 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -168.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -126.34 6.1 7.01 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 58.48 14.79 3.17 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.687 2.395 . . . . 0.0 116.523 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -63.48 146.15 54.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.576 1.55 . . . . 0.0 111.803 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.91 141.18 28.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.657 1.183 . . . . 0.0 111.094 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.8 147.22 51.55 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.464 1.106 . . . . 0.0 113.724 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.1 p -79.86 -25.4 40.73 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.51 1.524 . . . . 0.0 114.244 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.68 149.35 28.31 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.58 1.552 . . . . 0.0 110.318 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.45 -32.07 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.504 0.722 . . . . 0.0 112.475 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.17 -39.49 78.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.131 0.972 . . . . 0.0 111.682 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -65.9 -41.68 91.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.884 0.874 . . . . 0.0 110.948 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.6 -46.88 88.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.436 1.094 . . . . 0.0 112.367 171.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.73 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.86 -1.15 . . . . 0.0 111.188 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.39 -36.6 82.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.954 0.902 . . . . 0.0 112.453 173.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -63.59 -47.71 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.273 0.629 . . . . 0.0 111.99 170.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.9 -49.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.964 0.802 . . . . 0.0 111.252 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -69.02 -14.37 63.0 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -97.06 -42.87 7.67 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.716 1.206 . . . . 0.0 113.006 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.21 -24.58 14.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -130.06 -34.04 1.71 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -170.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.25 8.2 p-10 33.46 67.76 1.09 Allowed Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 128.191 2.596 . . . . 0.0 115.584 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -64.99 159.76 44.78 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.503 2.802 . . . . 0.0 113.942 -173.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -123.66 21.71 9.2 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.715 1.606 . . . . 0.0 112.019 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.453 1.901 . . . . 0.0 112.644 -177.761 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -79.72 35.79 0.31 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.913 1.685 . . . . 0.0 114.281 -174.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -56.21 126.2 25.11 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.251 1.42 . . . . 0.0 112.193 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.56 -13.51 22.34 Favored Glycine 0 CA--C 1.541 1.688 0 C-N-CA 124.984 1.278 . . . . 0.0 115.381 -174.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -100.64 -26.89 13.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.125 1.37 . . . . 0.0 113.041 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -61.29 -16.44 45.65 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.36 -12.54 61.22 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.969 1.271 . . . . 0.0 115.101 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.83 151.64 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.435 1.494 . . . . 0.0 111.449 171.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -127.15 155.95 42.55 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.394 1.878 . . . . 0.0 110.374 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -130.46 150.16 51.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.342 1.057 . . . . 0.0 111.94 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -131.49 151.48 51.53 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.574 1.15 . . . . 0.0 110.671 168.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 25' ' ' LEU . 53.4 t -60.42 142.81 54.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 122.381 1.086 . . . . 0.0 112.486 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.23 -27.17 61.44 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.433 1.493 . . . . 0.0 111.826 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -111.51 -30.58 7.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.12 1.368 . . . . 0.0 114.557 -169.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -130.08 1.95 4.75 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 57.52 18.63 4.69 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.091 2.156 . . . . 0.0 116.265 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -59.7 135.51 57.71 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.03 1.332 . . . . 0.0 110.902 169.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -75.24 137.46 41.25 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.653 0.781 . . . . 0.0 111.516 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.52 147.85 51.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.959 1.704 . . . . 0.0 112.813 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 p -80.37 -23.89 40.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 114.585 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -153.22 151.98 30.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.608 1.563 . . . . 0.0 110.454 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.53 -36.13 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.563 -0.71 . . . . 0.0 112.795 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.85 -32.56 63.71 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.217 0.917 . . . . 0.0 112.304 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.55 -33.23 75.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.633 0.651 . . . . 0.0 111.108 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' CYS . 40.6 tp -69.56 -40.67 76.66 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 169.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.27 -43.9 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 120.445 -1.409 . . . . 0.0 110.413 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -60.44 -32.22 71.17 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.253 1.421 . . . . 0.0 113.016 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -72.41 -47.58 48.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.146 0.978 . . . . 0.0 112.148 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.84 -45.82 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.338 1.055 . . . . 0.0 111.322 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.96 -6.6 34.25 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.59 -44.55 4.04 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.646 1.178 . . . . 0.0 112.673 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.79 -23.81 15.25 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -135.55 18.69 3.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.796 1.238 . . . . 0.0 113.536 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -58.2 118.62 28.6 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.474 1.51 . . . . 0.0 112.678 -171.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.46 161.89 36.75 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.917 3.078 . . . . 0.0 113.544 -173.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -75.74 -9.56 58.69 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.404 1.482 . . . . 0.0 114.991 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.327 1.851 . . . . 0.0 112.694 -177.651 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -67.74 155.42 39.32 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.639 1.175 . . . . 0.0 113.235 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -63.98 148.6 49.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.694 1.197 . . . . 0.0 112.909 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.92 30.42 0.49 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.325 0.964 . . . . 0.0 114.501 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 m -62.68 148.52 46.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.964 1.305 . . . . 0.0 113.196 -176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -145.62 170.79 15.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.388 1.475 . . . . 0.0 112.736 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.3 -179.65 51.71 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.729 1.157 . . . . 0.0 114.581 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.41 154.46 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.841 1.656 . . . . 0.0 110.652 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -127.98 130.01 47.69 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.09 1.356 . . . . 0.0 110.969 171.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -132.49 158.1 42.95 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.372 1.869 . . . . 0.0 110.924 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -134.25 151.83 51.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 173.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.04 150.2 48.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 111.932 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -88.61 -23.53 23.05 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.358 1.863 . . . . 0.0 112.695 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.41 -28.74 8.41 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -167.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -130.32 0.5 4.58 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.34 17.95 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.031 2.132 . . . . 0.0 115.996 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.88 159.7 8.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.735 0.814 . . . . 0.0 110.937 167.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -128.08 137.82 52.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.087 1.355 . . . . 0.0 111.909 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -133.76 150.54 51.47 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.973 1.709 . . . . 0.0 112.883 -168.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.4 p -86.82 -9.48 55.7 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.381 1.472 . . . . 0.0 114.214 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.15 140.42 21.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.099 1.36 . . . . 0.0 110.992 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.22 -29.9 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.55 0.74 . . . . 0.0 112.921 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -70.44 -38.32 74.5 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.502 -0.748 . . . . 0.0 111.338 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -65.7 -40.26 92.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.412 0.551 . . . . 0.0 111.068 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.29 -44.07 95.71 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.548 0.739 . . . . 0.0 112.357 170.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.71 -38.97 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 120.707 -1.245 . . . . 0.0 111.445 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.18 -34.55 75.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.819 0.848 . . . . 0.0 112.151 171.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -66.87 -52.38 44.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.514 0.725 . . . . 0.0 111.935 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.3 mt -56.36 -48.75 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.079 0.854 . . . . 0.0 111.355 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.72 -10.16 58.83 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.38 -42.99 5.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.635 1.174 . . . . 0.0 112.579 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.12 -25.17 17.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -171.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.1 -46.71 1.12 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.8 0.84 . . . . 0.0 113.207 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 35.04 72.71 0.69 Allowed Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 128.503 2.721 . . . . 0.0 115.171 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.85 136.26 71.29 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.8 3.0 . . . . 0.0 112.521 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -90.69 14.71 12.66 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.638 1.175 . . . . 0.0 113.199 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.701 1.6 . . . . 0.0 113.84 -178.284 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.567 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -65.16 -19.62 66.07 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -175.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 p -60.19 -26.68 66.54 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.648 1.179 . . . . 0.0 113.206 170.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.08 -15.05 64.63 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.711 1.148 . . . . 0.0 114.56 174.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -86.44 -3.53 59.02 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.92 1.288 . . . . 0.0 113.742 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -68.85 146.67 52.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.066 0.946 . . . . 0.0 112.04 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.02 153.16 52.87 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.163 0.887 . . . . 0.0 113.534 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.08 119.56 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.613 0.765 . . . . 0.0 109.734 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -74.46 148.5 41.01 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.125 0.97 . . . . 0.0 111.266 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -113.86 153.15 29.65 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.314 1.446 . . . . 0.0 110.939 -171.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -141.73 151.96 43.4 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.12 141.36 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.922 1.289 . . . . 0.0 111.617 170.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -80.96 -25.92 37.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.646 1.579 . . . . 0.0 112.33 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -107.49 -30.42 8.65 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -167.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -129.36 5.03 5.2 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 59.24 16.87 5.25 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.26 2.224 . . . . 0.0 116.183 170.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.97 150.59 37.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.295 1.438 . . . . 0.0 111.188 169.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -112.84 140.25 47.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.045 1.338 . . . . 0.0 112.555 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -136.63 145.36 44.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 111.736 -171.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -85.89 -4.03 59.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.03 136.69 22.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.848 1.659 . . . . 0.0 111.48 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.26 -30.24 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.949 0.9 . . . . 0.0 112.817 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.56 -42.71 70.75 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.339 -0.85 . . . . 0.0 111.18 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -61.35 -39.15 89.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.463 0.705 . . . . 0.0 112.15 171.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.63 -45.7 92.96 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.773 -0.579 . . . . 0.0 112.068 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.27 -38.4 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.883 -1.136 . . . . 0.0 111.281 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -62.43 -36.62 82.97 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.251 1.02 . . . . 0.0 112.244 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.71 -51.22 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.621 0.646 . . . . 0.0 111.623 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.24 -51.28 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.758 0.823 . . . . 0.0 111.267 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.3 -12.73 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.16 -43.46 7.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.396 1.078 . . . . 0.0 112.661 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.1 -26.08 16.18 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -131.78 -43.04 1.0 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -170.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 40.92 63.67 5.59 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 127.94 2.496 . . . . 0.0 114.379 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -68.11 153.83 73.91 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.794 2.996 . . . . 0.0 112.983 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -77.97 -7.98 57.53 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.361 1.864 . . . . 0.0 112.734 -176.542 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -148.01 165.93 29.29 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.301 1.44 . . . . 0.0 112.511 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -78.48 64.34 3.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.409 1.484 . . . . 0.0 112.444 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.89 166.06 36.79 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.979 1.276 . . . . 0.0 114.286 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -72.2 -26.07 61.91 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -175.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -69.39 153.88 42.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.51 1.124 . . . . 0.0 113.395 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.88 144.32 3.29 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.481 1.515 . . . . 0.0 114.066 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.87 102.75 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.004 1.321 . . . . 0.0 109.565 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -65.26 126.27 27.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.685 0.794 . . . . 0.0 110.717 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -142.35 164.57 29.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.576 1.55 . . . . 0.0 112.786 -170.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -131.24 151.87 51.06 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.872 0.869 . . . . 0.0 112.635 169.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.76 144.98 55.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.156 1.382 . . . . 0.0 112.222 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -82.04 -23.08 36.09 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.079 1.752 . . . . 0.0 112.514 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -111.74 -28.31 8.15 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -132.35 2.06 3.84 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 59.75 14.73 4.29 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.184 2.194 . . . . 0.0 116.472 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -60.28 144.5 50.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.914 1.286 . . . . 0.0 111.537 169.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.91 139.31 38.64 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.902 1.281 . . . . 0.0 112.272 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -133.6 140.07 46.91 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.543 1.537 . . . . 0.0 111.966 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -74.28 -15.97 60.96 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.55 151.52 39.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.424 1.089 . . . . 0.0 112.488 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.2 -33.32 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.224 1.01 . . . . 0.0 113.15 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.98 -35.29 76.55 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.242 -0.912 . . . . 0.0 111.865 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -68.44 -36.66 79.35 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.747 0.703 . . . . 0.0 111.388 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.22 -45.42 93.43 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.954 -0.466 . . . . 0.0 111.593 169.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.51 -38.15 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.686 -1.259 . . . . 0.0 111.303 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.04 -33.28 74.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.315 1.046 . . . . 0.0 112.502 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -69.49 -51.42 36.04 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.365 0.666 . . . . 0.0 111.777 169.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.69 -50.5 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.972 0.909 . . . . 0.0 111.028 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.36 -12.36 60.01 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -176.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.16 -42.79 5.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.809 1.243 . . . . 0.0 112.773 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.34 -26.06 16.05 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -132.3 -43.01 0.95 Allowed 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -170.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 35.33 70.75 0.93 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 128.724 2.809 . . . . 0.0 115.21 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.03 149.58 52.09 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 124.387 3.391 . . . . 0.0 114.425 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -82.02 -4.43 56.74 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 127.464 2.306 . . . . 0.0 114.654 -177.182 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -64.9 -16.07 62.79 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.2 1.555 . . . . 0.0 115.2 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -73.5 -16.78 61.28 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.98 1.312 . . . . 0.0 113.948 172.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.96 7.73 67.13 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.539 1.066 . . . . 0.0 114.622 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m 51.51 41.56 28.65 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.601 1.56 . . . . 0.0 113.743 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -68.36 158.01 34.47 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.85 1.26 . . . . 0.0 114.163 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.22 171.36 44.41 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.527 1.536 . . . . 0.0 112.515 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.8 pt -77.61 148.71 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -150.19 142.93 24.66 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.602 1.961 . . . . 0.0 109.626 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -130.35 140.04 50.64 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.541 1.136 . . . . 0.0 111.418 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -139.44 152.05 46.73 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.4 145.2 55.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.308 1.443 . . . . 0.0 111.785 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -86.23 -22.55 26.84 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.138 1.775 . . . . 0.0 112.662 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -109.15 -29.74 8.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -167.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -130.7 2.79 4.49 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 mttp 60.36 15.43 5.43 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.26 2.224 . . . . 0.0 116.412 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -61.37 160.24 11.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.699 1.199 . . . . 0.0 111.408 168.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -130.46 136.51 49.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.569 1.148 . . . . 0.0 111.824 -169.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -133.77 154.51 50.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.558 1.543 . . . . 0.0 113.302 -168.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 p -81.69 -17.75 46.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.131 1.773 . . . . 0.0 114.809 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -148.9 148.82 30.3 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 109.527 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.41 -30.18 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 111.53 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -62.45 -44.48 96.3 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.979 1.312 . . . . 0.0 111.195 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -69.85 -39.33 76.45 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.383 1.073 . . . . 0.0 111.354 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.48 -46.43 88.81 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.739 0.815 . . . . 0.0 111.781 170.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.58 -37.98 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.021 -1.05 . . . . 0.0 111.171 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.06 78.47 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.861 0.864 . . . . 0.0 111.864 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -65.63 -52.88 48.46 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.823 -0.548 . . . . 0.0 111.324 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -55.76 -49.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.213 1.005 . . . . 0.0 111.645 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -16.56 64.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -176.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -98.44 -38.96 9.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.355 1.062 . . . . 0.0 113.087 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.26 -27.76 15.34 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -169.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -136.01 -41.15 0.67 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t0 37.74 66.72 2.23 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 128.744 2.818 . . . . 0.0 115.759 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -79.07 5.04 6.02 Favored 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 124.843 3.696 . . . . 0.0 113.285 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.03 -16.01 61.51 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.6 1.56 . . . . 0.0 113.877 -170.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.312 1.845 . . . . 0.0 113.113 -179.244 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -68.76 150.95 47.28 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.49 1.116 . . . . 0.0 113.15 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -75.98 160.91 29.37 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.86 1.264 . . . . 0.0 112.884 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 116.08 0.51 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.331 0.967 . . . . 0.0 111.593 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m 53.97 21.6 2.95 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.576 1.551 . . . . 0.0 114.688 -172.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -117.55 -9.27 10.84 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.088 1.755 . . . . 0.0 114.624 -170.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.61 173.18 37.63 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.288 1.423 . . . . 0.0 113.041 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.8 pt -136.91 152.89 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.394 1.477 . . . . 0.0 112.281 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -138.37 153.72 48.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.51 1.924 . . . . 0.0 110.128 169.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -92.81 155.27 17.75 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.985 1.314 . . . . 0.0 110.558 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -131.96 151.16 51.9 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.21 140.36 58.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.125 1.37 . . . . 0.0 111.901 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -78.08 -23.08 48.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -111.63 -30.28 7.41 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -168.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -134.24 6.1 3.57 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 59.64 14.26 3.9 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 127.574 2.35 . . . . 0.0 116.883 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -61.15 151.31 31.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.205 1.802 . . . . 0.0 111.129 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.72 137.01 54.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.257 1.023 . . . . 0.0 112.922 -169.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -133.64 143.0 48.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.635 1.574 . . . . 0.0 112.277 -169.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 m -75.02 -15.3 60.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -146.23 146.38 30.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.644 1.577 . . . . 0.0 110.44 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.18 -29.92 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.674 -0.641 . . . . 0.0 112.366 178.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -64.32 -38.96 92.9 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.992 -1.067 . . . . 0.0 111.679 176.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -68.29 -34.28 75.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.248 0.619 . . . . 0.0 111.834 172.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.79 -47.98 78.73 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 118.734 -0.65 . . . . 0.0 112.084 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.45 -38.41 74.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 120.591 1.541 . . . . 0.0 111.707 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -33.71 76.01 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.571 0.748 . . . . 0.0 112.301 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -68.66 -51.0 46.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.587 0.755 . . . . 0.0 111.534 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.79 -49.64 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.15 0.98 . . . . 0.0 111.357 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -67.29 -14.49 62.96 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.24 -42.51 7.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.675 1.19 . . . . 0.0 112.622 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.77 -26.61 15.07 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.12 -42.31 0.88 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -169.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t0 41.19 61.47 7.47 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 128.194 2.598 . . . . 0.0 114.98 175.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -68.16 153.9 73.63 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.52 2.814 . . . . 0.0 112.259 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -84.26 -2.9 57.75 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.342 1.857 . . . . 0.0 112.652 -179.429 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -147.72 166.08 28.57 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.546 1.538 . . . . 0.0 112.386 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -145.33 157.97 43.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.118 1.367 . . . . 0.0 111.813 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.49 156.34 51.98 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.653 1.121 . . . . 0.0 114.523 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -76.17 -2.19 29.94 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -72.76 -20.7 61.13 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.09 160.28 53.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.19 0.9 . . . . 0.0 113.618 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.78 102.25 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.263 1.425 . . . . 0.0 108.19 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -64.29 123.21 18.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.402 0.681 . . . . 0.0 111.756 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -138.65 160.32 39.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.632 1.573 . . . . 0.0 111.39 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -139.78 151.86 46.12 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.71 146.0 55.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.119 1.368 . . . . 0.0 111.69 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -84.28 -31.64 24.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.674 1.59 . . . . 0.0 112.139 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -100.56 -29.95 12.06 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.37 5.47 4.8 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 59.81 15.28 4.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.532 2.333 . . . . 0.0 116.635 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -63.53 151.29 41.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.826 1.651 . . . . 0.0 111.745 171.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -105.14 141.77 36.1 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.006 1.322 . . . . 0.0 112.513 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -133.95 153.17 51.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.989 1.716 . . . . 0.0 113.14 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 p -90.27 -10.04 45.68 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.57 1.948 . . . . 0.0 115.069 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -153.12 150.82 29.49 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.875 1.67 . . . . 0.0 109.263 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.28 -30.19 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.327 -0.858 . . . . 0.0 111.702 169.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -62.96 -43.17 99.53 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 111.3 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.25 -37.48 74.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.202 1.001 . . . . 0.0 111.37 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.05 -46.94 88.63 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.286 0.635 . . . . 0.0 111.927 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.41 -38.77 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 120.796 -1.19 . . . . 0.0 111.499 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -62.36 -33.22 74.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 0.0 112.553 172.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -68.25 -51.69 42.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.535 0.607 . . . . 0.0 111.691 169.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -55.13 -51.13 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.036 0.934 . . . . 0.0 111.29 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -68.32 -14.53 63.06 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -97.08 -42.42 7.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.58 1.152 . . . . 0.0 112.598 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.85 -26.24 15.17 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -133.33 -42.83 0.86 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t0 40.69 63.41 5.61 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 127.956 2.502 . . . . 0.0 114.664 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -70.77 166.98 27.08 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 124.317 3.345 . . . . 0.0 113.119 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -78.48 63.61 3.36 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.158 1.383 . . . . 0.0 111.733 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.01 1.724 . . . . 0.0 113.724 177.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.527 -0.629 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -79.53 -16.75 55.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -174.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 m -68.59 145.99 53.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.676 1.191 . . . . 0.0 112.989 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.75 -4.34 57.81 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.468 1.032 . . . . 0.0 115.666 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -63.4 -11.5 23.42 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.98 1.712 . . . . 0.0 114.988 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -75.82 -9.54 58.68 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.065 1.346 . . . . 0.0 114.144 170.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.54 -153.05 5.92 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.589 1.566 . . . . 0.0 113.413 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.46 156.06 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.299 1.039 . . . . 0.0 113.171 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -131.54 142.0 49.84 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.547 1.539 . . . . 0.0 110.863 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -131.62 160.34 35.64 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.504 1.922 . . . . 0.0 110.944 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -137.05 152.52 50.17 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.32 143.8 57.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.884 1.273 . . . . 0.0 111.879 172.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -80.24 -24.99 39.77 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.201 1.8 . . . . 0.0 112.642 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -110.98 -29.35 7.95 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -167.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.68 1.26 4.94 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 59.06 18.03 6.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.997 2.119 . . . . 0.0 116.229 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -59.61 146.48 40.74 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.786 1.234 . . . . 0.0 110.848 168.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.75 139.29 42.56 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.92 1.288 . . . . 0.0 112.418 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -133.71 146.34 50.71 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.87 1.668 . . . . 0.0 112.057 -173.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -90.48 -1.18 57.89 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.088 1.355 . . . . 0.0 113.511 171.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.14 135.15 20.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.733 1.613 . . . . 0.0 111.679 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.71 -31.85 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.578 0.751 . . . . 0.0 112.791 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.53 -37.66 71.13 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.406 -0.809 . . . . 0.0 111.732 177.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -60.51 -44.65 95.78 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.786 0.834 . . . . 0.0 111.335 169.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -60.18 -46.07 90.96 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.444 0.698 . . . . 0.0 112.364 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.07 -39.58 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.29 -31.64 72.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.376 1.07 . . . . 0.0 112.228 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -69.74 -49.82 49.39 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.866 0.866 . . . . 0.0 111.695 169.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.68 -48.17 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.932 0.893 . . . . 0.0 111.32 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.25 -12.75 60.91 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.1 -40.15 7.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.716 1.206 . . . . 0.0 113.001 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.23 -24.88 13.86 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -169.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -131.61 -35.14 1.31 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -169.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.258 7.4 p-10 38.08 58.76 4.91 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 127.377 2.271 . . . . 0.0 115.383 176.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -73.12 -17.26 24.86 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.697 2.931 . . . . 0.0 114.82 -170.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 53.38 42.93 31.97 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.566 1.546 . . . . 0.0 112.977 -175.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.543 1.937 . . . . 0.0 112.814 -177.206 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -78.47 -18.99 54.06 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -149.72 157.37 43.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.604 1.561 . . . . 0.0 111.614 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.24 168.76 37.51 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.398 1.475 . . . . 0.0 112.975 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -81.18 134.73 35.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.637 0.775 . . . . 0.0 112.056 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -97.2 -6.68 34.16 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.771 1.628 . . . . 0.0 114.552 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.94 -1.8 83.56 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.962 1.268 . . . . 0.0 114.52 -169.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -136.06 111.63 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.975 1.31 . . . . 0.0 110.994 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -140.37 143.65 35.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.163 1.785 . . . . 0.0 110.318 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -132.36 153.41 50.79 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.59 1.556 . . . . 0.0 111.593 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -143.86 152.53 41.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.476 0.71 . . . . 0.0 112.856 169.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.36 146.29 54.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.548 1.139 . . . . 0.0 111.859 171.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -85.07 -25.25 27.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.28 1.832 . . . . 0.0 112.716 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -110.44 -28.91 8.32 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -168.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.48 1.79 5.61 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.01 18.73 6.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.991 2.116 . . . . 0.0 116.267 173.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.93 147.78 42.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.917 1.287 . . . . 0.0 111.091 169.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -104.91 140.07 38.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.154 1.382 . . . . 0.0 112.423 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.36 158.82 43.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.681 1.993 . . . . 0.0 111.603 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 m -110.12 7.08 23.3 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.608 1.163 . . . . 0.0 113.337 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.04 137.09 18.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.519 1.528 . . . . 0.0 111.407 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.44 -31.9 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.182 0.993 . . . . 0.0 113.082 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -70.31 -41.67 73.01 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.532 -0.73 . . . . 0.0 111.334 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -64.12 -39.52 94.21 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.638 0.775 . . . . 0.0 112.131 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.6 -47.88 84.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.76 0.709 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 -38.23 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.023 -1.048 . . . . 0.0 111.108 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.49 -37.71 87.05 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.084 0.954 . . . . 0.0 112.122 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.2 -50.17 69.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.177 0.591 . . . . 0.0 111.718 169.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.27 -51.3 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.614 0.766 . . . . 0.0 111.261 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -69.15 -15.09 63.33 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -94.27 -43.43 8.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.364 1.065 . . . . 0.0 112.744 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -25.34 15.28 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -170.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -131.86 -42.9 1.0 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t0 40.5 64.84 4.47 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 127.81 2.444 . . . . 0.0 114.214 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.54 -34.3 9.55 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.349 2.699 . . . . 0.0 114.314 -169.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -160.58 -33.85 0.05 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.989 1.716 . . . . 0.0 112.699 -175.73 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 112.117 -0.393 . . . . 0.0 112.117 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -67.32 149.69 50.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.513 1.125 . . . . 0.0 113.04 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -67.45 143.09 56.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.447 1.099 . . . . 0.0 112.846 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.53 -5.75 89.19 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.529 1.061 . . . . 0.0 115.101 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -142.9 168.47 19.64 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.473 1.909 . . . . 0.0 112.14 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -141.29 151.79 43.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.473 1.509 . . . . 0.0 111.503 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.22 -164.28 13.89 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.18 1.371 . . . . 0.0 113.385 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.5 mm -79.78 94.83 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.892 1.277 . . . . 0.0 109.309 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -68.74 134.49 49.86 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.446 1.098 . . . . 0.0 111.886 -169.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -141.67 169.22 18.0 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.681 1.592 . . . . 0.0 112.812 -169.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -131.11 151.91 50.95 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.993 0.917 . . . . 0.0 112.647 168.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.69 151.12 39.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.658 1.583 . . . . 0.0 112.182 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -88.47 -26.72 21.93 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.515 1.926 . . . . 0.0 112.549 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -108.44 -28.63 9.26 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -167.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.19 1.41 4.68 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 60.8 13.68 4.59 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.403 2.281 . . . . 0.0 116.496 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.11 147.63 50.26 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.591 1.957 . . . . 0.0 112.39 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -99.37 141.54 32.02 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.886 1.274 . . . . 0.0 111.816 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -133.02 144.47 50.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.499 1.52 . . . . 0.0 112.491 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 p -72.67 -22.07 60.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.443 1.497 . . . . 0.0 114.653 -172.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -148.43 154.98 40.62 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.357 1.463 . . . . 0.0 110.984 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.52 -31.8 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.423 -0.798 . . . . 0.0 112.946 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.94 -36.45 83.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.369 -0.832 . . . . 0.0 112.138 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.12 -33.84 68.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.233 0.613 . . . . 0.0 111.883 173.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -62.33 -47.91 82.16 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.785 0.72 . . . . 0.0 111.257 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.0 -39.87 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 120.953 -1.092 . . . . 0.0 110.963 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -60.46 -36.3 77.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.645 1.578 . . . . 0.0 112.361 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -68.28 -51.42 45.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.635 0.774 . . . . 0.0 111.92 170.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.1 mt -55.15 -51.38 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.964 0.906 . . . . 0.0 110.791 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -67.4 -12.53 60.47 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -100.77 -42.7 6.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 112.763 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.0 -26.19 15.1 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -170.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -131.57 -40.67 1.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.93 0.892 . . . . 0.0 113.399 -170.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 35.79 73.12 0.68 Allowed Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 129.098 2.959 . . . . 0.0 115.306 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -54.95 151.44 33.57 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.642 3.562 . . . . 0.0 114.413 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -83.67 -1.14 53.37 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.494 1.918 . . . . 0.0 112.806 -179.568 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -136.12 151.55 49.9 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.074 1.35 . . . . 0.0 112.165 -175.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -81.04 -0.87 41.69 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.95 -154.61 10.92 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.427 1.489 . . . . 0.0 112.819 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -72.53 179.37 3.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.982 1.313 . . . . 0.0 113.293 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -69.47 -3.75 15.83 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 173.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.36 175.11 14.04 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.847 1.689 . . . . 0.0 113.56 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.3 mt -83.04 138.23 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.775 1.23 . . . . 0.0 110.184 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -109.81 150.31 28.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.759 1.624 . . . . 0.0 110.51 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -97.61 155.16 17.1 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.747 1.219 . . . . 0.0 111.31 -174.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -146.09 151.85 38.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.11 153.08 22.69 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.192 1.397 . . . . 0.0 112.226 171.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -89.99 -37.08 14.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.493 1.517 . . . . 0.0 111.745 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -100.04 -31.96 11.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.224 1.41 . . . . 0.0 114.431 -167.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -123.65 -2.16 8.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.84 1.256 . . . . 0.0 114.148 174.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.285 63.2 mttp 57.08 26.12 11.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.244 2.217 . . . . 0.0 116.549 169.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.37 150.96 48.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.902 2.081 . . . . 0.0 111.077 168.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -102.96 140.76 36.82 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.84 1.256 . . . . 0.0 111.921 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -136.09 143.16 44.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.198 1.799 . . . . 0.0 111.8 -174.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -82.81 -6.38 59.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -150.0 142.3 24.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.6 1.56 . . . . 0.0 112.143 -172.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.98 -32.67 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.885 0.874 . . . . 0.0 113.123 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.43 -33.9 67.44 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.405 -0.81 . . . . 0.0 111.715 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -65.77 -41.62 91.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.557 0.743 . . . . 0.0 111.611 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -60.35 -48.34 82.17 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.26 0.624 . . . . 0.0 111.941 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.38 -39.73 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 121.063 -1.023 . . . . 0.0 111.096 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -63.43 -40.33 96.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.135 0.974 . . . . 0.0 111.854 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -60.69 -47.33 86.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.256 0.622 . . . . 0.0 111.807 170.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -57.87 -51.92 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.841 0.746 . . . . 0.0 111.092 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -69.5 -15.18 63.2 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.31 -43.86 9.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.408 1.083 . . . . 0.0 113.028 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.79 -25.07 14.49 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -169.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -131.22 -39.86 1.16 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 38.27 73.3 0.78 Allowed Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 128.64 2.776 . . . . 0.0 115.414 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.71 152.76 33.17 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 124.55 3.5 . . . . 0.0 114.376 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -75.78 -11.25 59.95 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.236 1.815 . . . . 0.0 112.643 -178.363 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -82.49 -20.31 37.07 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 m -68.94 141.17 55.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.631 1.173 . . . . 0.0 112.634 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.24 170.63 35.59 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.41 1.005 . . . . 0.0 113.803 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m -74.52 157.4 35.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.636 1.174 . . . . 0.0 112.825 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -76.96 -9.44 58.69 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.47 -159.84 51.64 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.775 1.178 . . . . 0.0 114.201 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.94 156.71 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.585 1.554 . . . . 0.0 112.445 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -75.12 -17.48 60.42 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -76.35 89.14 3.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.132 1.373 . . . . 0.0 111.168 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -131.79 151.79 51.42 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.045 1.338 . . . . 0.0 111.928 170.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.71 141.39 58.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.277 1.031 . . . . 0.0 110.943 171.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -81.8 -27.56 33.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.045 1.338 . . . . 0.0 112.218 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -103.69 -31.51 9.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -166.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -127.02 4.74 6.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 60.24 19.48 8.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.469 2.307 . . . . 0.0 116.132 168.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.8 153.52 43.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.745 1.618 . . . . 0.0 111.542 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -114.0 144.18 43.52 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.576 1.551 . . . . 0.0 111.881 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -133.35 146.53 51.37 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.575 1.15 . . . . 0.0 112.796 -169.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -79.41 -14.74 58.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -147.9 144.65 28.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.153 1.381 . . . . 0.0 111.258 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 p -66.61 -30.22 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.52 -33.62 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.375 -0.828 . . . . 0.0 111.779 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.33 -39.67 78.04 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.425 0.557 . . . . 0.0 111.41 172.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.1 tp -60.74 -47.56 85.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.616 0.766 . . . . 0.0 111.992 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.4 -39.08 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.071 -1.018 . . . . 0.0 111.06 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.83 -36.24 82.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.338 1.055 . . . . 0.0 112.208 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -65.0 -51.6 60.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.113 0.565 . . . . 0.0 111.397 169.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.3 -51.05 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.772 0.829 . . . . 0.0 111.46 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -69.09 -14.97 63.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -95.12 -43.12 8.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.393 1.077 . . . . 0.0 112.62 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.01 -26.15 15.65 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -132.84 -41.51 0.93 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -169.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 40.95 64.95 4.67 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 127.876 2.47 . . . . 0.0 114.314 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.94 -29.11 7.09 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.53 2.82 . . . . 0.0 114.568 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -143.94 -61.46 0.39 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.883 1.273 . . . . 0.0 112.451 -175.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.078 1.751 . . . . 0.0 112.869 -174.38 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -132.14 32.5 4.0 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.886 1.274 . . . . 0.0 113.19 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -60.29 127.64 32.8 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.13 -0.981 . . . . 0.0 111.149 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.66 -43.61 1.39 Allowed Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.36 1.457 . . . . 0.0 114.592 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.6 p -70.86 -16.86 62.73 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -73.25 -10.67 60.01 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 169.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.09 155.32 52.64 Favored Glycine 0 CA--C 1.538 1.52 0 CA-C-N 119.176 0.898 . . . . 0.0 113.279 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.56 150.16 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.24 1.416 . . . . 0.0 110.08 -175.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -96.53 58.77 1.75 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.378 1.471 . . . . 0.0 114.207 -171.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -69.22 151.2 46.59 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.43 -0.794 . . . . 0.0 111.826 171.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -135.4 153.21 51.88 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.989 0.916 . . . . 0.0 112.989 170.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.02 145.02 56.33 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.16 1.384 . . . . 0.0 112.416 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -82.16 -25.67 34.13 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.598 1.959 . . . . 0.0 112.638 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -110.89 -28.89 8.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -168.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -132.47 4.45 3.97 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 58.75 16.13 4.23 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.472 2.309 . . . . 0.0 116.781 172.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -62.31 149.83 41.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.644 1.578 . . . . 0.0 111.591 169.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.0 mtmt -101.42 138.67 38.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.695 1.198 . . . . 0.0 112.305 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -134.0 141.92 47.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.804 1.642 . . . . 0.0 111.889 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -78.39 -8.91 59.0 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.61 151.81 29.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.662 1.585 . . . . 0.0 110.787 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -62.34 -32.65 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.393 -0.817 . . . . 0.0 113.153 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -68.14 -34.71 76.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.272 -0.893 . . . . 0.0 112.012 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -70.06 -38.56 75.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.25 0.62 . . . . 0.0 111.16 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.37 -46.6 89.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.253 0.621 . . . . 0.0 111.676 169.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.72 -41.01 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 120.978 -1.076 . . . . 0.0 110.982 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -60.87 -40.3 92.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.25 1.02 . . . . 0.0 113.066 171.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -61.03 -46.98 88.52 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.368 0.531 . . . . 0.0 111.67 171.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.65 -51.08 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 111.181 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -18.32 63.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -95.77 -32.57 12.64 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.88 -21.98 11.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -129.48 -34.78 1.78 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.268 7.2 p-10 39.23 56.5 5.94 Favored Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 127.209 2.203 . . . . 0.0 115.828 176.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.46 -2.71 12.91 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 124.477 3.451 . . . . 0.0 114.521 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -89.57 10.94 21.09 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.544 1.538 . . . . 0.0 113.817 -174.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.602 1.561 . . . . 0.0 114.75 -179.864 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -67.35 145.21 55.32 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.404 1.082 . . . . 0.0 112.978 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -83.85 -26.0 29.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.617 1.167 . . . . 0.0 113.932 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.74 156.55 42.63 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.722 1.153 . . . . 0.0 114.029 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -140.2 140.45 35.87 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.665 1.586 . . . . 0.0 111.606 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 m -82.95 48.05 1.3 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.447 1.499 . . . . 0.0 112.806 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.06 -144.35 33.37 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.386 0.993 . . . . 0.0 112.936 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.91 153.28 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.572 1.149 . . . . 0.0 113.308 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -131.88 139.34 48.76 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.543 1.537 . . . . 0.0 110.948 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -106.86 146.46 30.93 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.357 1.463 . . . . 0.0 111.01 177.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -150.68 149.41 29.79 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.226 1.01 . . . . 0.0 112.57 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.08 129.14 34.92 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.715 1.206 . . . . 0.0 110.935 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -78.6 -17.91 55.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -96.64 -33.86 11.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.39 5.17 5.71 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt 63.23 18.21 10.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.002 2.121 . . . . 0.0 115.488 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.57 163.72 15.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.828 1.251 . . . . 0.0 112.491 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -117.47 141.99 47.68 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.068 1.747 . . . . 0.0 111.331 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.85 159.23 41.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.602 1.961 . . . . 0.0 112.048 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -86.9 -73.61 0.46 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.813 1.245 . . . . 0.0 111.393 174.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.17 142.18 28.82 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.915 1.286 . . . . 0.0 112.214 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -65.26 -29.39 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.199 -0.938 . . . . 0.0 113.009 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -69.57 -33.31 72.55 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.366 -0.834 . . . . 0.0 111.821 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -70.19 -41.03 74.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.363 0.665 . . . . 0.0 111.113 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -60.04 -47.66 84.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.655 0.782 . . . . 0.0 111.851 171.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.72 -39.33 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 111.298 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.0 -42.37 99.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.134 0.974 . . . . 0.0 111.621 173.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -59.8 -46.84 87.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.364 0.666 . . . . 0.0 111.794 171.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.62 -51.79 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 118.73 0.695 . . . . 0.0 111.101 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -70.0 -16.35 63.16 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -88.75 -43.91 10.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.366 1.067 . . . . 0.0 113.028 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.72 -24.79 14.33 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -169.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.57 -41.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -169.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 41.58 64.16 5.7 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 127.953 2.501 . . . . 0.0 114.728 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -67.51 156.79 64.64 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.815 3.01 . . . . 0.0 113.144 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -81.5 -3.92 54.45 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.574 1.95 . . . . 0.0 113.837 -179.797 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 t -148.57 164.21 34.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.442 1.497 . . . . 0.0 111.772 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 p -73.36 -20.54 60.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.87 1.268 . . . . 0.0 113.679 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.94 172.48 19.04 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.824 1.678 . . . . 0.0 113.408 175.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -71.93 -26.07 62.15 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.122 0.969 . . . . 0.0 113.481 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -149.59 146.41 27.3 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.344 1.858 . . . . 0.0 109.977 170.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.41 -146.01 48.46 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 123.722 0.677 . . . . 0.0 113.096 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.8 mm -125.21 143.22 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.558 1.943 . . . . 0.0 109.198 177.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -56.49 145.68 27.08 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.316 1.047 . . . . 0.0 112.449 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -114.02 139.32 49.37 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.091 1.756 . . . . 0.0 110.084 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -128.26 140.33 51.95 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.379 -0.826 . . . . 0.0 113.014 -169.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.8 132.4 47.35 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.012 0.911 . . . . 0.0 112.32 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -70.29 -24.69 63.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.241 1.816 . . . . 0.0 112.913 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.21 -30.02 6.76 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -168.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -131.16 7.28 4.61 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 59.21 17.4 5.65 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.379 2.272 . . . . 0.0 116.427 171.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -63.7 156.37 27.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.796 1.639 . . . . 0.0 111.748 169.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.41 137.87 53.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.835 1.254 . . . . 0.0 112.726 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -133.82 151.39 51.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.997 2.119 . . . . 0.0 111.275 -170.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.4 m -95.75 -4.22 44.43 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -146.02 140.29 26.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.169 1.388 . . . . 0.0 110.407 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.24 -28.56 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.283 0.633 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -68.4 -37.8 80.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.725 0.81 . . . . 0.0 111.534 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -68.25 -40.65 81.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.287 0.635 . . . . 0.0 110.991 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -59.34 -47.15 86.52 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.429 0.692 . . . . 0.0 111.717 170.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.95 -45.9 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 121.152 -0.968 . . . . 0.0 110.91 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.9 -31.31 70.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.923 1.238 . . . . 0.0 112.476 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -66.16 -50.15 64.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.643 0.656 . . . . 0.0 111.926 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.76 -46.55 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.101 0.864 . . . . 0.0 111.15 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.255 4.4 tpm_? -60.98 -23.39 65.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 129.157 2.983 . . . . 0.0 113.752 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -97.7 -44.26 6.84 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.179 1.391 . . . . 0.0 113.889 173.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.53 -27.14 14.17 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -168.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -135.94 3.47 2.94 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.88 132.48 66.76 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.148 1.779 . . . . 0.0 115.043 -168.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.62 -7.04 13.62 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.942 3.094 . . . . 0.0 114.433 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.75 36.89 27.38 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.656 1.583 . . . . 0.0 113.424 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.841 2.056 . . . . 0.0 112.885 -176.369 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 p80 . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.01 151.7 41.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.519 1.128 . . . . 0.0 110.708 169.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -116.44 7.07 13.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.318 1.847 . . . . 0.0 112.871 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -130.87 -28.52 1.98 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.838 1.655 . . . . 0.0 112.57 -172.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -134.73 4.19 3.31 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.394 1.478 . . . . 0.0 114.738 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 61.05 22.06 12.36 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.297 2.239 . . . . 0.0 116.558 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -64.28 167.37 6.81 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.589 1.156 . . . . 0.0 111.952 168.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -124.43 142.64 51.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.581 1.552 . . . . 0.0 111.796 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -133.87 147.87 51.2 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.498 1.919 . . . . 0.0 112.166 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -88.64 -4.18 58.62 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.19 140.88 21.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.111 1.365 . . . . 0.0 110.891 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.89 -31.43 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.07 -34.47 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.32 -0.863 . . . . 0.0 111.639 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -70.15 -38.52 75.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.222 0.609 . . . . 0.0 111.173 173.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.6 -46.88 88.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.452 0.701 . . . . 0.0 111.847 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.98 -37.76 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 120.999 -1.063 . . . . 0.0 111.2 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.43 -40.81 92.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.264 1.025 . . . . 0.0 112.029 171.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -63.12 -49.05 75.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.321 0.648 . . . . 0.0 111.836 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.28 -51.85 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.921 0.888 . . . . 0.0 111.143 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -69.28 -16.68 63.62 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.93 -44.17 9.05 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.318 1.047 . . . . 0.0 112.877 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.96 -24.36 15.41 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -131.2 -43.13 1.06 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -169.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 CA--C 1.553 1.09 0 C-N-CA 128.305 2.642 . . . . 0.0 114.612 179.616 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.1 p80 . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 121.088 0.47 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.5 145.78 54.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.486 1.114 . . . . 0.0 111.592 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -86.03 -28.0 24.43 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.466 1.906 . . . . 0.0 112.092 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -106.46 -30.6 8.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -167.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -128.2 5.59 5.84 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 59.37 16.85 5.4 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.574 2.35 . . . . 0.0 116.759 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -65.23 151.59 45.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.769 1.628 . . . . 0.0 111.83 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -102.96 144.52 31.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.228 1.411 . . . . 0.0 112.179 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -133.24 151.95 51.93 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.992 1.317 . . . . 0.0 113.373 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 p -82.78 -20.23 36.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.584 1.554 . . . . 0.0 114.305 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -152.48 149.77 28.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.523 1.529 . . . . 0.0 110.38 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.4 -30.63 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.492 -0.755 . . . . 0.0 112.368 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -68.42 -39.47 81.57 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.965 0.906 . . . . 0.0 111.549 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -67.14 -38.73 86.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.343 0.657 . . . . 0.0 111.28 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -61.95 -46.82 87.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.191 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.869 -1.145 . . . . 0.0 111.328 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.66 -34.53 75.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.05 0.94 . . . . 0.0 112.412 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -67.8 -52.14 40.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.063 0.545 . . . . 0.0 111.611 169.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.52 -50.61 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.881 0.872 . . . . 0.0 111.309 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -68.12 -15.45 63.59 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -96.91 -42.63 7.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.505 1.122 . . . . 0.0 112.672 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.61 -26.25 15.83 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -133.15 -42.99 0.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -169.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.554 1.113 0 C-N-CA 128.026 2.53 . . . . 0.0 114.432 178.47 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.2 p80 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.39 154.87 30.65 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.856 1.263 . . . . 0.0 111.93 171.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -93.89 -36.23 12.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.945 1.698 . . . . 0.0 111.971 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -97.22 -30.17 13.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -167.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -127.54 -1.75 6.16 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.009 1.324 . . . . 0.0 114.507 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.282 63.2 mttp 58.02 26.07 13.06 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.194 2.198 . . . . 0.0 116.536 169.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -66.69 154.04 41.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.374 1.87 . . . . 0.0 111.014 168.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -103.61 141.85 35.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.053 1.341 . . . . 0.0 112.58 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.89 149.13 51.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.272 1.829 . . . . 0.0 112.78 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 p -80.18 -18.66 49.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.573 1.549 . . . . 0.0 114.491 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -155.39 153.76 30.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.478 1.511 . . . . 0.0 111.166 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -63.62 -31.19 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.56 -35.01 75.0 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.359 -0.838 . . . . 0.0 111.928 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.75 -37.93 79.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.761 0.709 . . . . 0.0 111.657 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.52 -48.03 81.31 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.166 0.587 . . . . 0.0 112.213 170.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.24 -38.88 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.799 -1.188 . . . . 0.0 111.143 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.4 -34.8 75.97 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 112.444 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -68.46 -51.6 41.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.216 0.606 . . . . 0.0 111.703 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.6 mt -55.52 -50.46 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.881 0.873 . . . . 0.0 111.205 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -67.88 -13.04 61.82 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -99.72 -42.62 6.78 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.669 1.188 . . . . 0.0 112.645 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.63 -26.39 15.23 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -170.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -131.99 -41.54 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -169.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t0 . . . . . 0 CA--C 1.552 1.047 0 C-N-CA 128.966 2.906 . . . . 0.0 115.189 175.708 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.9 p80 . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.99 138.18 57.91 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.415 1.102 . . . . 0.0 111.481 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.21 -24.1 47.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.465 1.506 . . . . 0.0 111.604 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -108.68 -31.2 7.83 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.647 1.579 . . . . 0.0 114.456 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.89 4.24 3.82 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 60.35 15.66 5.61 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -61.69 148.29 43.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.968 1.307 . . . . 0.0 110.873 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -102.61 137.33 40.98 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.464 1.106 . . . . 0.0 112.787 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -134.91 133.71 39.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.794 1.637 . . . . 0.0 112.349 -175.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.44 -15.92 60.89 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -140.14 142.2 36.02 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 111.211 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.19 -30.36 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.407 0.683 . . . . 0.0 112.386 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.99 -39.49 93.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.118 0.967 . . . . 0.0 112.036 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -69.99 -37.52 75.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.175 0.59 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.88 -48.16 82.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.05 0.54 . . . . 0.0 111.511 169.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.92 -41.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.995 -1.066 . . . . 0.0 111.257 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.71 -38.33 90.03 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.592 0.757 . . . . 0.0 112.395 173.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -62.94 -47.1 84.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.576 0.625 . . . . 0.0 111.807 170.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.3 -52.11 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.772 0.829 . . . . 0.0 110.74 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -70.08 -12.41 61.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.8 -42.77 9.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.391 1.076 . . . . 0.0 112.877 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -25.33 14.01 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 -169.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -131.59 -38.96 1.14 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 128.389 2.676 . . . . 0.0 115.396 175.851 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 p80 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.65 142.42 52.97 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.493 1.139 . . . . 0.0 112.466 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.54 -27.13 41.29 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.328 1.851 . . . . 0.0 112.154 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -114.19 -29.81 6.83 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -168.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -126.34 6.1 7.01 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 58.48 14.79 3.17 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.687 2.395 . . . . 0.0 116.523 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -63.48 146.15 54.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.576 1.55 . . . . 0.0 111.803 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.91 141.18 28.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.657 1.183 . . . . 0.0 111.094 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.8 147.22 51.55 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.464 1.106 . . . . 0.0 113.724 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.1 p -79.86 -25.4 40.73 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.51 1.524 . . . . 0.0 114.244 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.68 149.35 28.31 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.58 1.552 . . . . 0.0 110.318 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.45 -32.07 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.504 0.722 . . . . 0.0 112.475 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.17 -39.49 78.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.131 0.972 . . . . 0.0 111.682 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -65.9 -41.68 91.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.884 0.874 . . . . 0.0 110.948 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.6 -46.88 88.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.436 1.094 . . . . 0.0 112.367 171.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.73 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.86 -1.15 . . . . 0.0 111.188 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.39 -36.6 82.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.954 0.902 . . . . 0.0 112.453 173.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -63.59 -47.71 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.273 0.629 . . . . 0.0 111.99 170.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.9 -49.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.964 0.802 . . . . 0.0 111.252 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -69.02 -14.37 63.0 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -97.06 -42.87 7.67 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.716 1.206 . . . . 0.0 113.006 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.21 -24.58 14.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -130.06 -34.04 1.71 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -170.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.25 8.2 p-10 . . . . . 0 CA--C 1.553 1.078 0 C-N-CA 128.191 2.596 . . . . 0.0 115.584 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.2 p80 . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 110.671 -0.122 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 25' ' ' LEU . 53.4 t -60.42 142.81 54.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 122.381 1.086 . . . . 0.0 112.486 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.23 -27.17 61.44 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.433 1.493 . . . . 0.0 111.826 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -111.51 -30.58 7.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.12 1.368 . . . . 0.0 114.557 -169.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -130.08 1.95 4.75 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 57.52 18.63 4.69 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.091 2.156 . . . . 0.0 116.265 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -59.7 135.51 57.71 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.03 1.332 . . . . 0.0 110.902 169.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -75.24 137.46 41.25 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.653 0.781 . . . . 0.0 111.516 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.52 147.85 51.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.959 1.704 . . . . 0.0 112.813 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 p -80.37 -23.89 40.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 114.585 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -153.22 151.98 30.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.608 1.563 . . . . 0.0 110.454 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.53 -36.13 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.563 -0.71 . . . . 0.0 112.795 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.85 -32.56 63.71 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.217 0.917 . . . . 0.0 112.304 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.55 -33.23 75.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.633 0.651 . . . . 0.0 111.108 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' CYS . 40.6 tp -69.56 -40.67 76.66 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 169.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.27 -43.9 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 120.445 -1.409 . . . . 0.0 110.413 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -60.44 -32.22 71.17 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.253 1.421 . . . . 0.0 113.016 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -72.41 -47.58 48.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.146 0.978 . . . . 0.0 112.148 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.84 -45.82 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.338 1.055 . . . . 0.0 111.322 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.96 -6.6 34.25 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.59 -44.55 4.04 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.646 1.178 . . . . 0.0 112.673 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.79 -23.81 15.25 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -135.55 18.69 3.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.796 1.238 . . . . 0.0 113.536 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 CA--C 1.552 1.027 0 C-N-CA 125.474 1.51 . . . . 0.0 112.678 -171.357 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.04 150.2 48.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 111.932 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -88.61 -23.53 23.05 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.358 1.863 . . . . 0.0 112.695 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.41 -28.74 8.41 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -167.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -130.32 0.5 4.58 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.34 17.95 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.031 2.132 . . . . 0.0 115.996 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.88 159.7 8.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.735 0.814 . . . . 0.0 110.937 167.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -128.08 137.82 52.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.087 1.355 . . . . 0.0 111.909 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -133.76 150.54 51.47 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.973 1.709 . . . . 0.0 112.883 -168.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.4 p -86.82 -9.48 55.7 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.381 1.472 . . . . 0.0 114.214 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.15 140.42 21.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.099 1.36 . . . . 0.0 110.992 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.22 -29.9 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.55 0.74 . . . . 0.0 112.921 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -70.44 -38.32 74.5 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.502 -0.748 . . . . 0.0 111.338 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -65.7 -40.26 92.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.412 0.551 . . . . 0.0 111.068 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.29 -44.07 95.71 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.548 0.739 . . . . 0.0 112.357 170.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.71 -38.97 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 120.707 -1.245 . . . . 0.0 111.445 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.18 -34.55 75.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.819 0.848 . . . . 0.0 112.151 171.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -66.87 -52.38 44.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.514 0.725 . . . . 0.0 111.935 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.3 mt -56.36 -48.75 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.079 0.854 . . . . 0.0 111.355 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.72 -10.16 58.83 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.38 -42.99 5.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.635 1.174 . . . . 0.0 112.579 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.12 -25.17 17.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -171.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.1 -46.71 1.12 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.8 0.84 . . . . 0.0 113.207 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 128.503 2.721 . . . . 0.0 115.171 176.131 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p80 . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.12 141.36 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.922 1.289 . . . . 0.0 111.617 170.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -80.96 -25.92 37.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.646 1.579 . . . . 0.0 112.33 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -107.49 -30.42 8.65 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -167.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -129.36 5.03 5.2 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 59.24 16.87 5.25 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.26 2.224 . . . . 0.0 116.183 170.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.97 150.59 37.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.295 1.438 . . . . 0.0 111.188 169.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -112.84 140.25 47.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.045 1.338 . . . . 0.0 112.555 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -136.63 145.36 44.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 111.736 -171.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -85.89 -4.03 59.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.03 136.69 22.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.848 1.659 . . . . 0.0 111.48 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.26 -30.24 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.949 0.9 . . . . 0.0 112.817 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.56 -42.71 70.75 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.339 -0.85 . . . . 0.0 111.18 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -61.35 -39.15 89.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.463 0.705 . . . . 0.0 112.15 171.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.63 -45.7 92.96 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.773 -0.579 . . . . 0.0 112.068 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.27 -38.4 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.883 -1.136 . . . . 0.0 111.281 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -62.43 -36.62 82.97 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.251 1.02 . . . . 0.0 112.244 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.71 -51.22 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.621 0.646 . . . . 0.0 111.623 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.24 -51.28 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.758 0.823 . . . . 0.0 111.267 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.3 -12.73 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.16 -43.46 7.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.396 1.078 . . . . 0.0 112.661 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.1 -26.08 16.18 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -131.78 -43.04 1.0 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -170.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.554 1.117 0 C-N-CA 127.94 2.496 . . . . 0.0 114.379 177.112 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.4 p80 . . . . . 0 CA--C 1.539 0.558 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.76 144.98 55.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.156 1.382 . . . . 0.0 112.222 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -82.04 -23.08 36.09 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.079 1.752 . . . . 0.0 112.514 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -111.74 -28.31 8.15 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -132.35 2.06 3.84 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 59.75 14.73 4.29 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.184 2.194 . . . . 0.0 116.472 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -60.28 144.5 50.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.914 1.286 . . . . 0.0 111.537 169.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.91 139.31 38.64 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.902 1.281 . . . . 0.0 112.272 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -133.6 140.07 46.91 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.543 1.537 . . . . 0.0 111.966 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -74.28 -15.97 60.96 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.55 151.52 39.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.424 1.089 . . . . 0.0 112.488 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.2 -33.32 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.224 1.01 . . . . 0.0 113.15 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.98 -35.29 76.55 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.242 -0.912 . . . . 0.0 111.865 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -68.44 -36.66 79.35 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.747 0.703 . . . . 0.0 111.388 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.22 -45.42 93.43 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.954 -0.466 . . . . 0.0 111.593 169.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.51 -38.15 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.686 -1.259 . . . . 0.0 111.303 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.04 -33.28 74.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.315 1.046 . . . . 0.0 112.502 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -69.49 -51.42 36.04 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.365 0.666 . . . . 0.0 111.777 169.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.69 -50.5 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.972 0.909 . . . . 0.0 111.028 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.36 -12.36 60.01 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -176.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.16 -42.79 5.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.809 1.243 . . . . 0.0 112.773 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.34 -26.06 16.05 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -132.3 -43.01 0.95 Allowed 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -170.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.554 1.121 0 C-N-CA 128.724 2.809 . . . . 0.0 115.21 179.811 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.4 p80 . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.4 145.2 55.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.308 1.443 . . . . 0.0 111.785 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -86.23 -22.55 26.84 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.138 1.775 . . . . 0.0 112.662 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -109.15 -29.74 8.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -167.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -130.7 2.79 4.49 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 mttp 60.36 15.43 5.43 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.26 2.224 . . . . 0.0 116.412 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -61.37 160.24 11.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.699 1.199 . . . . 0.0 111.408 168.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -130.46 136.51 49.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.569 1.148 . . . . 0.0 111.824 -169.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -133.77 154.51 50.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.558 1.543 . . . . 0.0 113.302 -168.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 p -81.69 -17.75 46.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.131 1.773 . . . . 0.0 114.809 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -148.9 148.82 30.3 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 109.527 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.41 -30.18 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 111.53 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -62.45 -44.48 96.3 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.979 1.312 . . . . 0.0 111.195 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -69.85 -39.33 76.45 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.383 1.073 . . . . 0.0 111.354 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.48 -46.43 88.81 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.739 0.815 . . . . 0.0 111.781 170.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.58 -37.98 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.021 -1.05 . . . . 0.0 111.171 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.06 78.47 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.861 0.864 . . . . 0.0 111.864 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -65.63 -52.88 48.46 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.823 -0.548 . . . . 0.0 111.324 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -55.76 -49.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.213 1.005 . . . . 0.0 111.645 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -16.56 64.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -176.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -98.44 -38.96 9.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.355 1.062 . . . . 0.0 113.087 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.26 -27.76 15.34 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -169.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -136.01 -41.15 0.67 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 128.744 2.818 . . . . 0.0 115.759 179.637 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.21 140.36 58.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.125 1.37 . . . . 0.0 111.901 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -78.08 -23.08 48.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -111.63 -30.28 7.41 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -168.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -134.24 6.1 3.57 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 59.64 14.26 3.9 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 127.574 2.35 . . . . 0.0 116.883 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -61.15 151.31 31.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.205 1.802 . . . . 0.0 111.129 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.72 137.01 54.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.257 1.023 . . . . 0.0 112.922 -169.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -133.64 143.0 48.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.635 1.574 . . . . 0.0 112.277 -169.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 m -75.02 -15.3 60.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -146.23 146.38 30.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.644 1.577 . . . . 0.0 110.44 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.18 -29.92 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.674 -0.641 . . . . 0.0 112.366 178.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -64.32 -38.96 92.9 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.992 -1.067 . . . . 0.0 111.679 176.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -68.29 -34.28 75.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.248 0.619 . . . . 0.0 111.834 172.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.79 -47.98 78.73 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 118.734 -0.65 . . . . 0.0 112.084 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.45 -38.41 74.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 120.591 1.541 . . . . 0.0 111.707 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -33.71 76.01 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.571 0.748 . . . . 0.0 112.301 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -68.66 -51.0 46.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.587 0.755 . . . . 0.0 111.534 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.79 -49.64 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.15 0.98 . . . . 0.0 111.357 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -67.29 -14.49 62.96 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.24 -42.51 7.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.675 1.19 . . . . 0.0 112.622 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.77 -26.61 15.07 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.12 -42.31 0.88 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -169.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 CA--C 1.555 1.149 0 C-N-CA 128.194 2.598 . . . . 0.0 114.98 175.917 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.71 146.0 55.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.119 1.368 . . . . 0.0 111.69 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -84.28 -31.64 24.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.674 1.59 . . . . 0.0 112.139 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -100.56 -29.95 12.06 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.37 5.47 4.8 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 59.81 15.28 4.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.532 2.333 . . . . 0.0 116.635 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -63.53 151.29 41.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.826 1.651 . . . . 0.0 111.745 171.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -105.14 141.77 36.1 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.006 1.322 . . . . 0.0 112.513 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -133.95 153.17 51.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.989 1.716 . . . . 0.0 113.14 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 p -90.27 -10.04 45.68 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.57 1.948 . . . . 0.0 115.069 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -153.12 150.82 29.49 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.875 1.67 . . . . 0.0 109.263 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.28 -30.19 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.327 -0.858 . . . . 0.0 111.702 169.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -62.96 -43.17 99.53 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 111.3 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.25 -37.48 74.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.202 1.001 . . . . 0.0 111.37 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.05 -46.94 88.63 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.286 0.635 . . . . 0.0 111.927 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.41 -38.77 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 120.796 -1.19 . . . . 0.0 111.499 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -62.36 -33.22 74.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 0.0 112.553 172.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -68.25 -51.69 42.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.535 0.607 . . . . 0.0 111.691 169.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -55.13 -51.13 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.036 0.934 . . . . 0.0 111.29 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -68.32 -14.53 63.06 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -97.08 -42.42 7.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.58 1.152 . . . . 0.0 112.598 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.85 -26.24 15.17 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -133.33 -42.83 0.86 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 127.956 2.502 . . . . 0.0 114.664 178.523 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.2 p80 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.32 143.8 57.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.884 1.273 . . . . 0.0 111.879 172.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -80.24 -24.99 39.77 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.201 1.8 . . . . 0.0 112.642 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -110.98 -29.35 7.95 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -167.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.68 1.26 4.94 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 59.06 18.03 6.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.997 2.119 . . . . 0.0 116.229 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -59.61 146.48 40.74 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.786 1.234 . . . . 0.0 110.848 168.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.75 139.29 42.56 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.92 1.288 . . . . 0.0 112.418 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -133.71 146.34 50.71 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.87 1.668 . . . . 0.0 112.057 -173.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -90.48 -1.18 57.89 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.088 1.355 . . . . 0.0 113.511 171.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.14 135.15 20.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.733 1.613 . . . . 0.0 111.679 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.71 -31.85 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.578 0.751 . . . . 0.0 112.791 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.53 -37.66 71.13 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.406 -0.809 . . . . 0.0 111.732 177.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -60.51 -44.65 95.78 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.786 0.834 . . . . 0.0 111.335 169.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -60.18 -46.07 90.96 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.444 0.698 . . . . 0.0 112.364 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.07 -39.58 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.29 -31.64 72.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.376 1.07 . . . . 0.0 112.228 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -69.74 -49.82 49.39 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.866 0.866 . . . . 0.0 111.695 169.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.68 -48.17 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.932 0.893 . . . . 0.0 111.32 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.25 -12.75 60.91 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.1 -40.15 7.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.716 1.206 . . . . 0.0 113.001 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.23 -24.88 13.86 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -169.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -131.61 -35.14 1.31 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -169.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.258 7.4 p-10 . . . . . 0 CA--C 1.556 1.186 0 C-N-CA 127.377 2.271 . . . . 0.0 115.383 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.1 p80 . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.36 146.29 54.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.548 1.139 . . . . 0.0 111.859 171.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -85.07 -25.25 27.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.28 1.832 . . . . 0.0 112.716 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -110.44 -28.91 8.32 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -168.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.48 1.79 5.61 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.01 18.73 6.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.991 2.116 . . . . 0.0 116.267 173.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.93 147.78 42.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.917 1.287 . . . . 0.0 111.091 169.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -104.91 140.07 38.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.154 1.382 . . . . 0.0 112.423 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.36 158.82 43.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.681 1.993 . . . . 0.0 111.603 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 m -110.12 7.08 23.3 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.608 1.163 . . . . 0.0 113.337 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.04 137.09 18.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.519 1.528 . . . . 0.0 111.407 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.44 -31.9 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.182 0.993 . . . . 0.0 113.082 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -70.31 -41.67 73.01 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.532 -0.73 . . . . 0.0 111.334 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -64.12 -39.52 94.21 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.638 0.775 . . . . 0.0 112.131 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.6 -47.88 84.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.76 0.709 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 -38.23 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.023 -1.048 . . . . 0.0 111.108 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.49 -37.71 87.05 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.084 0.954 . . . . 0.0 112.122 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.2 -50.17 69.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.177 0.591 . . . . 0.0 111.718 169.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.27 -51.3 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.614 0.766 . . . . 0.0 111.261 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -69.15 -15.09 63.33 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -94.27 -43.43 8.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.364 1.065 . . . . 0.0 112.744 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -25.34 15.28 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -170.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -131.86 -42.9 1.0 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 CA--C 1.554 1.112 0 C-N-CA 127.81 2.444 . . . . 0.0 114.214 177.405 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 . . . . . 0 CA--C 1.54 0.558 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.69 151.12 39.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.658 1.583 . . . . 0.0 112.182 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -88.47 -26.72 21.93 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.515 1.926 . . . . 0.0 112.549 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -108.44 -28.63 9.26 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -167.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.19 1.41 4.68 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 60.8 13.68 4.59 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.403 2.281 . . . . 0.0 116.496 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.11 147.63 50.26 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.591 1.957 . . . . 0.0 112.39 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -99.37 141.54 32.02 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.886 1.274 . . . . 0.0 111.816 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -133.02 144.47 50.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.499 1.52 . . . . 0.0 112.491 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 p -72.67 -22.07 60.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.443 1.497 . . . . 0.0 114.653 -172.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -148.43 154.98 40.62 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.357 1.463 . . . . 0.0 110.984 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.52 -31.8 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.423 -0.798 . . . . 0.0 112.946 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.94 -36.45 83.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.369 -0.832 . . . . 0.0 112.138 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.12 -33.84 68.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.233 0.613 . . . . 0.0 111.883 173.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -62.33 -47.91 82.16 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.785 0.72 . . . . 0.0 111.257 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.0 -39.87 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 120.953 -1.092 . . . . 0.0 110.963 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -60.46 -36.3 77.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.645 1.578 . . . . 0.0 112.361 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -68.28 -51.42 45.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.635 0.774 . . . . 0.0 111.92 170.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.1 mt -55.15 -51.38 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.964 0.906 . . . . 0.0 110.791 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -67.4 -12.53 60.47 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -100.77 -42.7 6.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 112.763 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.0 -26.19 15.1 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -170.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -131.57 -40.67 1.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.93 0.892 . . . . 0.0 113.399 -170.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.553 1.067 0 C-N-CA 129.098 2.959 . . . . 0.0 115.306 177.442 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.4 p80 . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.11 153.08 22.69 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.192 1.397 . . . . 0.0 112.226 171.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -89.99 -37.08 14.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.493 1.517 . . . . 0.0 111.745 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -100.04 -31.96 11.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.224 1.41 . . . . 0.0 114.431 -167.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -123.65 -2.16 8.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.84 1.256 . . . . 0.0 114.148 174.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.285 63.2 mttp 57.08 26.12 11.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.244 2.217 . . . . 0.0 116.549 169.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.37 150.96 48.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.902 2.081 . . . . 0.0 111.077 168.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -102.96 140.76 36.82 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.84 1.256 . . . . 0.0 111.921 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -136.09 143.16 44.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.198 1.799 . . . . 0.0 111.8 -174.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -82.81 -6.38 59.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -150.0 142.3 24.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.6 1.56 . . . . 0.0 112.143 -172.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.98 -32.67 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.885 0.874 . . . . 0.0 113.123 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.43 -33.9 67.44 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.405 -0.81 . . . . 0.0 111.715 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -65.77 -41.62 91.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.557 0.743 . . . . 0.0 111.611 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -60.35 -48.34 82.17 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.26 0.624 . . . . 0.0 111.941 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.38 -39.73 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 121.063 -1.023 . . . . 0.0 111.096 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -63.43 -40.33 96.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.135 0.974 . . . . 0.0 111.854 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -60.69 -47.33 86.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.256 0.622 . . . . 0.0 111.807 170.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -57.87 -51.92 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.841 0.746 . . . . 0.0 111.092 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -69.5 -15.18 63.2 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.31 -43.86 9.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.408 1.083 . . . . 0.0 113.028 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.79 -25.07 14.49 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -169.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -131.22 -39.86 1.16 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.552 1.049 0 C-N-CA 128.64 2.776 . . . . 0.0 115.414 176.779 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p80 . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 121.163 0.506 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.71 141.39 58.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.277 1.031 . . . . 0.0 110.943 171.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -81.8 -27.56 33.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.045 1.338 . . . . 0.0 112.218 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -103.69 -31.51 9.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -166.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -127.02 4.74 6.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 60.24 19.48 8.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.469 2.307 . . . . 0.0 116.132 168.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.8 153.52 43.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.745 1.618 . . . . 0.0 111.542 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -114.0 144.18 43.52 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.576 1.551 . . . . 0.0 111.881 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -133.35 146.53 51.37 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.575 1.15 . . . . 0.0 112.796 -169.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -79.41 -14.74 58.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -147.9 144.65 28.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.153 1.381 . . . . 0.0 111.258 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 p -66.61 -30.22 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.52 -33.62 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.375 -0.828 . . . . 0.0 111.779 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.33 -39.67 78.04 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.425 0.557 . . . . 0.0 111.41 172.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.1 tp -60.74 -47.56 85.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.616 0.766 . . . . 0.0 111.992 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.4 -39.08 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.071 -1.018 . . . . 0.0 111.06 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.83 -36.24 82.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.338 1.055 . . . . 0.0 112.208 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -65.0 -51.6 60.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.113 0.565 . . . . 0.0 111.397 169.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.3 -51.05 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.772 0.829 . . . . 0.0 111.46 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -69.09 -14.97 63.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -95.12 -43.12 8.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.393 1.077 . . . . 0.0 112.62 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.01 -26.15 15.65 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -132.84 -41.51 0.93 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -169.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.554 1.126 0 C-N-CA 127.876 2.47 . . . . 0.0 114.314 177.793 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.02 145.02 56.33 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.16 1.384 . . . . 0.0 112.416 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -82.16 -25.67 34.13 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.598 1.959 . . . . 0.0 112.638 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -110.89 -28.89 8.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -168.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -132.47 4.45 3.97 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 58.75 16.13 4.23 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.472 2.309 . . . . 0.0 116.781 172.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -62.31 149.83 41.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.644 1.578 . . . . 0.0 111.591 169.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.0 mtmt -101.42 138.67 38.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.695 1.198 . . . . 0.0 112.305 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -134.0 141.92 47.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.804 1.642 . . . . 0.0 111.889 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -78.39 -8.91 59.0 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.61 151.81 29.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.662 1.585 . . . . 0.0 110.787 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -62.34 -32.65 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.393 -0.817 . . . . 0.0 113.153 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -68.14 -34.71 76.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.272 -0.893 . . . . 0.0 112.012 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -70.06 -38.56 75.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.25 0.62 . . . . 0.0 111.16 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.37 -46.6 89.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.253 0.621 . . . . 0.0 111.676 169.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.72 -41.01 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 120.978 -1.076 . . . . 0.0 110.982 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -60.87 -40.3 92.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.25 1.02 . . . . 0.0 113.066 171.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -61.03 -46.98 88.52 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.368 0.531 . . . . 0.0 111.67 171.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.65 -51.08 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 111.181 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -18.32 63.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -95.77 -32.57 12.64 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.88 -21.98 11.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -129.48 -34.78 1.78 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.268 7.2 p-10 . . . . . 0 CA--C 1.557 1.235 0 C-N-CA 127.209 2.203 . . . . 0.0 115.828 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.08 129.14 34.92 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.715 1.206 . . . . 0.0 110.935 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -78.6 -17.91 55.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -96.64 -33.86 11.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.39 5.17 5.71 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt 63.23 18.21 10.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.002 2.121 . . . . 0.0 115.488 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.57 163.72 15.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.828 1.251 . . . . 0.0 112.491 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -117.47 141.99 47.68 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.068 1.747 . . . . 0.0 111.331 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.85 159.23 41.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.602 1.961 . . . . 0.0 112.048 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -86.9 -73.61 0.46 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.813 1.245 . . . . 0.0 111.393 174.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.17 142.18 28.82 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.915 1.286 . . . . 0.0 112.214 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -65.26 -29.39 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.199 -0.938 . . . . 0.0 113.009 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -69.57 -33.31 72.55 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.366 -0.834 . . . . 0.0 111.821 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -70.19 -41.03 74.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.363 0.665 . . . . 0.0 111.113 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -60.04 -47.66 84.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.655 0.782 . . . . 0.0 111.851 171.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.72 -39.33 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 111.298 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.0 -42.37 99.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.134 0.974 . . . . 0.0 111.621 173.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -59.8 -46.84 87.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.364 0.666 . . . . 0.0 111.794 171.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.62 -51.79 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 118.73 0.695 . . . . 0.0 111.101 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -70.0 -16.35 63.16 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -88.75 -43.91 10.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.366 1.067 . . . . 0.0 113.028 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.72 -24.79 14.33 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -169.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.57 -41.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -169.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.553 1.094 0 C-N-CA 127.953 2.501 . . . . 0.0 114.728 175.11 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.5 m170 . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.8 132.4 47.35 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.012 0.911 . . . . 0.0 112.32 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -70.29 -24.69 63.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.241 1.816 . . . . 0.0 112.913 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.21 -30.02 6.76 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -168.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -131.16 7.28 4.61 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 59.21 17.4 5.65 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.379 2.272 . . . . 0.0 116.427 171.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -63.7 156.37 27.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.796 1.639 . . . . 0.0 111.748 169.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.41 137.87 53.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.835 1.254 . . . . 0.0 112.726 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -133.82 151.39 51.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.997 2.119 . . . . 0.0 111.275 -170.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.4 m -95.75 -4.22 44.43 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -146.02 140.29 26.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.169 1.388 . . . . 0.0 110.407 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.24 -28.56 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.283 0.633 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -68.4 -37.8 80.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.725 0.81 . . . . 0.0 111.534 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -68.25 -40.65 81.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.287 0.635 . . . . 0.0 110.991 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -59.34 -47.15 86.52 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.429 0.692 . . . . 0.0 111.717 170.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.95 -45.9 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 121.152 -0.968 . . . . 0.0 110.91 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.9 -31.31 70.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.923 1.238 . . . . 0.0 112.476 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -66.16 -50.15 64.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.643 0.656 . . . . 0.0 111.926 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.76 -46.55 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.101 0.864 . . . . 0.0 111.15 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.255 4.4 tpm_? -60.98 -23.39 65.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 129.157 2.983 . . . . 0.0 113.752 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -97.7 -44.26 6.84 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.179 1.391 . . . . 0.0 113.889 173.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.53 -27.14 14.17 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -168.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -135.94 3.47 2.94 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 CA--C 1.55 0.944 0 C-N-CA 126.148 1.779 . . . . 0.0 115.043 -168.41 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -76.64 -22.31 54.27 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -95.74 151.08 19.69 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.624 1.569 . . . . 0.0 113.036 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.04 165.56 17.17 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.786 1.184 . . . . 0.0 113.578 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -93.14 -5.65 49.72 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.316 1.446 . . . . 0.0 114.327 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -79.93 64.16 4.69 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.885 1.674 . . . . 0.0 112.996 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.02 165.05 35.12 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.99 1.281 . . . . 0.0 113.608 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.3 pt -83.92 165.79 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.612 1.165 . . . . 0.0 112.574 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -125.01 127.5 47.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.076 1.35 . . . . 0.0 110.438 172.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -130.78 158.6 39.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.336 1.854 . . . . 0.0 110.441 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -136.31 149.58 48.49 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.01 151.7 41.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.519 1.128 . . . . 0.0 110.708 169.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -116.44 7.07 13.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.318 1.847 . . . . 0.0 112.871 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -130.87 -28.52 1.98 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.838 1.655 . . . . 0.0 112.57 -172.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -134.73 4.19 3.31 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.394 1.478 . . . . 0.0 114.738 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 61.05 22.06 12.36 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.297 2.239 . . . . 0.0 116.558 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -64.28 167.37 6.81 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.589 1.156 . . . . 0.0 111.952 168.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -124.43 142.64 51.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.581 1.552 . . . . 0.0 111.796 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -133.87 147.87 51.2 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.498 1.919 . . . . 0.0 112.166 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -88.64 -4.18 58.62 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.19 140.88 21.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.111 1.365 . . . . 0.0 110.891 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.89 -31.43 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.07 -34.47 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.32 -0.863 . . . . 0.0 111.639 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -70.15 -38.52 75.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.222 0.609 . . . . 0.0 111.173 173.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.6 -46.88 88.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.452 0.701 . . . . 0.0 111.847 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.98 -37.76 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 120.999 -1.063 . . . . 0.0 111.2 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.43 -40.81 92.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.264 1.025 . . . . 0.0 112.029 171.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -63.12 -49.05 75.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.321 0.648 . . . . 0.0 111.836 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.28 -51.85 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.921 0.888 . . . . 0.0 111.143 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -69.28 -16.68 63.62 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.93 -44.17 9.05 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.318 1.047 . . . . 0.0 112.877 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.96 -24.36 15.41 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -131.2 -43.13 1.06 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -169.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.1 t0 38.81 68.2 2.0 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 128.305 2.642 . . . . 0.0 114.612 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.24 -1.55 9.79 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.126 3.217 . . . . 0.0 114.711 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -80.47 -10.84 59.74 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.7 1.2 . . . . 0.0 113.576 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.485 1.514 . . . . 0.0 113.954 177.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 N-CA-C 111.929 -0.469 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -147.17 164.97 31.42 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.533 1.533 . . . . 0.0 112.066 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -146.05 177.17 9.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.534 1.533 . . . . 0.0 111.437 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 -26.68 63.36 Favored Glycine 0 CA--C 1.54 1.605 0 O-C-N 120.932 -1.105 . . . . 0.0 113.338 172.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -73.24 -13.2 61.1 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.383 1.473 . . . . 0.0 114.176 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -74.46 -13.58 60.72 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.279 1.032 . . . . 0.0 113.239 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.91 179.2 42.63 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.156 1.36 . . . . 0.0 114.427 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.8 pt -92.66 156.58 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.829 1.251 . . . . 0.0 112.6 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -143.68 145.62 32.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.138 1.775 . . . . 0.0 110.453 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -128.36 122.91 32.59 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.447 1.099 . . . . 0.0 110.543 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -142.26 153.85 44.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.491 1.116 . . . . 0.0 112.253 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.5 145.78 54.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.486 1.114 . . . . 0.0 111.592 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -86.03 -28.0 24.43 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.466 1.906 . . . . 0.0 112.092 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -106.46 -30.6 8.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -167.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -128.2 5.59 5.84 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 59.37 16.85 5.4 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.574 2.35 . . . . 0.0 116.759 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -65.23 151.59 45.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.769 1.628 . . . . 0.0 111.83 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -102.96 144.52 31.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.228 1.411 . . . . 0.0 112.179 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -133.24 151.95 51.93 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.992 1.317 . . . . 0.0 113.373 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 p -82.78 -20.23 36.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.584 1.554 . . . . 0.0 114.305 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -152.48 149.77 28.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.523 1.529 . . . . 0.0 110.38 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.4 -30.63 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.492 -0.755 . . . . 0.0 112.368 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -68.42 -39.47 81.57 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.965 0.906 . . . . 0.0 111.549 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -67.14 -38.73 86.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.343 0.657 . . . . 0.0 111.28 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -61.95 -46.82 87.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.191 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.869 -1.145 . . . . 0.0 111.328 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.66 -34.53 75.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.05 0.94 . . . . 0.0 112.412 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -67.8 -52.14 40.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.063 0.545 . . . . 0.0 111.611 169.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.52 -50.61 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.881 0.872 . . . . 0.0 111.309 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -68.12 -15.45 63.59 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -96.91 -42.63 7.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.505 1.122 . . . . 0.0 112.672 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.61 -26.25 15.83 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -133.15 -42.99 0.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -169.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 40.07 63.78 4.9 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 128.026 2.53 . . . . 0.0 114.432 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.18 155.1 52.1 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 124.143 3.229 . . . . 0.0 113.782 -170.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -95.45 4.02 53.69 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.408 1.483 . . . . 0.0 113.283 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.833 2.053 . . . . 0.0 112.474 -175.11 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.104 -0.399 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -81.71 -8.01 59.65 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 p -74.41 168.07 20.43 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.661 1.585 . . . . 0.0 113.353 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.89 -147.44 24.98 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.238 0.923 . . . . 0.0 113.724 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 t -145.34 154.21 42.07 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.576 1.551 . . . . 0.0 111.973 -173.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -76.39 4.0 9.91 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.826 1.25 . . . . 0.0 113.27 169.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.12 -57.72 5.06 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.716 1.627 . . . . 0.0 112.671 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.4 mm -82.0 113.08 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.609 1.164 . . . . 0.0 109.951 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -80.11 154.89 27.78 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.724 1.209 . . . . 0.0 110.787 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -130.03 161.23 31.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.433 1.493 . . . . 0.0 111.188 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -141.97 151.8 42.87 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 173.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.39 154.87 30.65 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.856 1.263 . . . . 0.0 111.93 171.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -93.89 -36.23 12.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.945 1.698 . . . . 0.0 111.971 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -97.22 -30.17 13.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -167.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -127.54 -1.75 6.16 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.009 1.324 . . . . 0.0 114.507 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.282 63.2 mttp 58.02 26.07 13.06 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.194 2.198 . . . . 0.0 116.536 169.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -66.69 154.04 41.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.374 1.87 . . . . 0.0 111.014 168.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -103.61 141.85 35.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.053 1.341 . . . . 0.0 112.58 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.89 149.13 51.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.272 1.829 . . . . 0.0 112.78 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 p -80.18 -18.66 49.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.573 1.549 . . . . 0.0 114.491 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -155.39 153.76 30.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.478 1.511 . . . . 0.0 111.166 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -63.62 -31.19 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.56 -35.01 75.0 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.359 -0.838 . . . . 0.0 111.928 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.75 -37.93 79.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.761 0.709 . . . . 0.0 111.657 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.52 -48.03 81.31 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.166 0.587 . . . . 0.0 112.213 170.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.24 -38.88 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.799 -1.188 . . . . 0.0 111.143 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.4 -34.8 75.97 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 112.444 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -68.46 -51.6 41.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.216 0.606 . . . . 0.0 111.703 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.6 mt -55.52 -50.46 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.881 0.873 . . . . 0.0 111.205 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -67.88 -13.04 61.82 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -99.72 -42.62 6.78 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.669 1.188 . . . . 0.0 112.645 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.63 -26.39 15.23 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -170.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -131.99 -41.54 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -169.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t0 37.92 80.67 0.27 Allowed Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 128.966 2.906 . . . . 0.0 115.189 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.68 -8.92 24.84 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.48 2.786 . . . . 0.0 114.242 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 55.49 38.38 30.17 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.134 1.774 . . . . 0.0 114.022 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.459 1.904 . . . . 0.0 112.759 -179.119 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.6 p -84.19 -12.65 54.52 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.2 p 52.98 17.58 0.92 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.342 1.857 . . . . 0.0 115.082 -169.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.34 6.05 87.77 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.334 1.445 . . . . 0.0 115.633 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -141.63 -21.12 0.74 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -79.39 157.27 27.63 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.318 0.963 . . . . 0.0 112.488 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.34 -170.06 37.84 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.102 1.334 . . . . 0.0 113.392 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.5 pt -128.57 159.02 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.438 1.495 . . . . 0.0 112.675 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -127.97 164.6 21.98 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.363 1.865 . . . . 0.0 110.633 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -114.47 160.68 18.92 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.125 1.37 . . . . 0.0 112.294 -174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -131.46 151.76 51.28 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.069 0.947 . . . . 0.0 111.879 169.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.99 138.18 57.91 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.415 1.102 . . . . 0.0 111.481 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.21 -24.1 47.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.465 1.506 . . . . 0.0 111.604 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -108.68 -31.2 7.83 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.647 1.579 . . . . 0.0 114.456 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.89 4.24 3.82 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 60.35 15.66 5.61 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -61.69 148.29 43.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.968 1.307 . . . . 0.0 110.873 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -102.61 137.33 40.98 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.464 1.106 . . . . 0.0 112.787 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -134.91 133.71 39.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.794 1.637 . . . . 0.0 112.349 -175.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.44 -15.92 60.89 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -140.14 142.2 36.02 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 111.211 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.19 -30.36 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.407 0.683 . . . . 0.0 112.386 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.99 -39.49 93.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.118 0.967 . . . . 0.0 112.036 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -69.99 -37.52 75.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.175 0.59 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.88 -48.16 82.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.05 0.54 . . . . 0.0 111.511 169.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.92 -41.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.995 -1.066 . . . . 0.0 111.257 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.71 -38.33 90.03 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.592 0.757 . . . . 0.0 112.395 173.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -62.94 -47.1 84.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.576 0.625 . . . . 0.0 111.807 170.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.3 -52.11 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.772 0.829 . . . . 0.0 110.74 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -70.08 -12.41 61.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.8 -42.77 9.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.391 1.076 . . . . 0.0 112.877 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -25.33 14.01 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 -169.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -131.59 -38.96 1.14 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.3 t0 41.28 61.53 7.53 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 128.389 2.676 . . . . 0.0 115.396 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -74.99 -38.16 1.72 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.34 2.693 . . . . 0.0 113.377 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -148.62 -55.51 0.2 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.85 1.66 . . . . 0.0 112.043 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.353 1.861 . . . . 0.0 113.065 -174.236 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -64.32 -17.51 63.74 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -172.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 p -75.85 -12.73 60.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.423 1.489 . . . . 0.0 114.242 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.64 -168.94 50.86 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.736 1.16 . . . . 0.0 114.612 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 m -138.62 147.84 43.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.337 1.455 . . . . 0.0 112.281 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 m -74.4 158.47 33.84 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.763 1.225 . . . . 0.0 112.496 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.97 -20.56 0.17 Allowed Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.012 1.165 . . . . 0.0 116.012 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.1 mm -75.77 120.23 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 118.717 1.258 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.01 131.94 41.89 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.42 1.088 . . . . 0.0 110.613 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -89.84 119.44 30.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.283 0.633 . . . . 0.0 111.631 -172.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -142.26 153.96 44.36 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.667 1.187 . . . . 0.0 111.862 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.65 142.42 52.97 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.493 1.139 . . . . 0.0 112.466 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.54 -27.13 41.29 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.328 1.851 . . . . 0.0 112.154 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -114.19 -29.81 6.83 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -168.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -126.34 6.1 7.01 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 58.48 14.79 3.17 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 127.687 2.395 . . . . 0.0 116.523 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -63.48 146.15 54.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.576 1.55 . . . . 0.0 111.803 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.91 141.18 28.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.657 1.183 . . . . 0.0 111.094 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.8 147.22 51.55 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.464 1.106 . . . . 0.0 113.724 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.1 p -79.86 -25.4 40.73 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.51 1.524 . . . . 0.0 114.244 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.68 149.35 28.31 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.58 1.552 . . . . 0.0 110.318 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.45 -32.07 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.504 0.722 . . . . 0.0 112.475 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.17 -39.49 78.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.131 0.972 . . . . 0.0 111.682 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -65.9 -41.68 91.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.884 0.874 . . . . 0.0 110.948 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.6 -46.88 88.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.436 1.094 . . . . 0.0 112.367 171.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.73 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.86 -1.15 . . . . 0.0 111.188 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.39 -36.6 82.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.954 0.902 . . . . 0.0 112.453 173.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -63.59 -47.71 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.273 0.629 . . . . 0.0 111.99 170.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.9 -49.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.964 0.802 . . . . 0.0 111.252 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -69.02 -14.37 63.0 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -97.06 -42.87 7.67 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.716 1.206 . . . . 0.0 113.006 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.21 -24.58 14.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -130.06 -34.04 1.71 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -170.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.25 8.2 p-10 33.46 67.76 1.09 Allowed Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 128.191 2.596 . . . . 0.0 115.584 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -64.99 159.76 44.78 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.503 2.802 . . . . 0.0 113.942 -173.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -123.66 21.71 9.2 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.715 1.606 . . . . 0.0 112.019 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.453 1.901 . . . . 0.0 112.644 -177.761 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -79.72 35.79 0.31 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.913 1.685 . . . . 0.0 114.281 -174.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -56.21 126.2 25.11 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.251 1.42 . . . . 0.0 112.193 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.56 -13.51 22.34 Favored Glycine 0 CA--C 1.541 1.688 0 C-N-CA 124.984 1.278 . . . . 0.0 115.381 -174.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -100.64 -26.89 13.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.125 1.37 . . . . 0.0 113.041 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -61.29 -16.44 45.65 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.36 -12.54 61.22 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.969 1.271 . . . . 0.0 115.101 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.83 151.64 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.435 1.494 . . . . 0.0 111.449 171.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -127.15 155.95 42.55 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.394 1.878 . . . . 0.0 110.374 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -130.46 150.16 51.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.342 1.057 . . . . 0.0 111.94 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -131.49 151.48 51.53 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.574 1.15 . . . . 0.0 110.671 168.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 25' ' ' LEU . 53.4 t -60.42 142.81 54.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 122.381 1.086 . . . . 0.0 112.486 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.23 -27.17 61.44 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.433 1.493 . . . . 0.0 111.826 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -111.51 -30.58 7.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.12 1.368 . . . . 0.0 114.557 -169.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -130.08 1.95 4.75 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 57.52 18.63 4.69 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.091 2.156 . . . . 0.0 116.265 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -59.7 135.51 57.71 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.03 1.332 . . . . 0.0 110.902 169.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -75.24 137.46 41.25 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.653 0.781 . . . . 0.0 111.516 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.52 147.85 51.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.959 1.704 . . . . 0.0 112.813 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 p -80.37 -23.89 40.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 114.585 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -153.22 151.98 30.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.608 1.563 . . . . 0.0 110.454 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.53 -36.13 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.563 -0.71 . . . . 0.0 112.795 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.85 -32.56 63.71 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.217 0.917 . . . . 0.0 112.304 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.55 -33.23 75.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.633 0.651 . . . . 0.0 111.108 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' CYS . 40.6 tp -69.56 -40.67 76.66 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 169.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.27 -43.9 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 120.445 -1.409 . . . . 0.0 110.413 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -60.44 -32.22 71.17 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.253 1.421 . . . . 0.0 113.016 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -72.41 -47.58 48.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.146 0.978 . . . . 0.0 112.148 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.84 -45.82 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.338 1.055 . . . . 0.0 111.322 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.96 -6.6 34.25 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.59 -44.55 4.04 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.646 1.178 . . . . 0.0 112.673 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.79 -23.81 15.25 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -135.55 18.69 3.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.796 1.238 . . . . 0.0 113.536 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -58.2 118.62 28.6 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.474 1.51 . . . . 0.0 112.678 -171.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.46 161.89 36.75 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.917 3.078 . . . . 0.0 113.544 -173.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -75.74 -9.56 58.69 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.404 1.482 . . . . 0.0 114.991 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.327 1.851 . . . . 0.0 112.694 -177.651 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -67.74 155.42 39.32 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.639 1.175 . . . . 0.0 113.235 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -63.98 148.6 49.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.694 1.197 . . . . 0.0 112.909 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.92 30.42 0.49 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.325 0.964 . . . . 0.0 114.501 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 m -62.68 148.52 46.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.964 1.305 . . . . 0.0 113.196 -176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -145.62 170.79 15.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.388 1.475 . . . . 0.0 112.736 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.3 -179.65 51.71 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.729 1.157 . . . . 0.0 114.581 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.41 154.46 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.841 1.656 . . . . 0.0 110.652 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -127.98 130.01 47.69 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.09 1.356 . . . . 0.0 110.969 171.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -132.49 158.1 42.95 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.372 1.869 . . . . 0.0 110.924 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -134.25 151.83 51.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 173.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.04 150.2 48.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 111.932 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -88.61 -23.53 23.05 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.358 1.863 . . . . 0.0 112.695 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.41 -28.74 8.41 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -167.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -130.32 0.5 4.58 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 59.34 17.95 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.031 2.132 . . . . 0.0 115.996 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.88 159.7 8.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.735 0.814 . . . . 0.0 110.937 167.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -128.08 137.82 52.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.087 1.355 . . . . 0.0 111.909 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -133.76 150.54 51.47 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.973 1.709 . . . . 0.0 112.883 -168.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.4 p -86.82 -9.48 55.7 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.381 1.472 . . . . 0.0 114.214 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.15 140.42 21.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.099 1.36 . . . . 0.0 110.992 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.22 -29.9 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.55 0.74 . . . . 0.0 112.921 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -70.44 -38.32 74.5 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.502 -0.748 . . . . 0.0 111.338 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -65.7 -40.26 92.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.412 0.551 . . . . 0.0 111.068 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.29 -44.07 95.71 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.548 0.739 . . . . 0.0 112.357 170.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.71 -38.97 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 120.707 -1.245 . . . . 0.0 111.445 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.18 -34.55 75.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.819 0.848 . . . . 0.0 112.151 171.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -66.87 -52.38 44.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.514 0.725 . . . . 0.0 111.935 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.3 mt -56.36 -48.75 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.079 0.854 . . . . 0.0 111.355 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.72 -10.16 58.83 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.38 -42.99 5.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.635 1.174 . . . . 0.0 112.579 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.12 -25.17 17.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -171.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.1 -46.71 1.12 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.8 0.84 . . . . 0.0 113.207 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 35.04 72.71 0.69 Allowed Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 128.503 2.721 . . . . 0.0 115.171 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.85 136.26 71.29 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.8 3.0 . . . . 0.0 112.521 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -90.69 14.71 12.66 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.638 1.175 . . . . 0.0 113.199 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.701 1.6 . . . . 0.0 113.84 -178.284 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.567 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -65.16 -19.62 66.07 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -175.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 p -60.19 -26.68 66.54 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.648 1.179 . . . . 0.0 113.206 170.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.08 -15.05 64.63 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.711 1.148 . . . . 0.0 114.56 174.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -86.44 -3.53 59.02 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.92 1.288 . . . . 0.0 113.742 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -68.85 146.67 52.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.066 0.946 . . . . 0.0 112.04 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.02 153.16 52.87 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.163 0.887 . . . . 0.0 113.534 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.08 119.56 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.613 0.765 . . . . 0.0 109.734 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -74.46 148.5 41.01 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.125 0.97 . . . . 0.0 111.266 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -113.86 153.15 29.65 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.314 1.446 . . . . 0.0 110.939 -171.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -141.73 151.96 43.4 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.12 141.36 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.922 1.289 . . . . 0.0 111.617 170.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -80.96 -25.92 37.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.646 1.579 . . . . 0.0 112.33 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -107.49 -30.42 8.65 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -167.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -129.36 5.03 5.2 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 59.24 16.87 5.25 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.26 2.224 . . . . 0.0 116.183 170.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.97 150.59 37.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.295 1.438 . . . . 0.0 111.188 169.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -112.84 140.25 47.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.045 1.338 . . . . 0.0 112.555 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -136.63 145.36 44.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 111.736 -171.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -85.89 -4.03 59.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.03 136.69 22.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.848 1.659 . . . . 0.0 111.48 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.26 -30.24 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.949 0.9 . . . . 0.0 112.817 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -70.56 -42.71 70.75 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.339 -0.85 . . . . 0.0 111.18 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -61.35 -39.15 89.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.463 0.705 . . . . 0.0 112.15 171.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.63 -45.7 92.96 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.773 -0.579 . . . . 0.0 112.068 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.27 -38.4 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.883 -1.136 . . . . 0.0 111.281 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -62.43 -36.62 82.97 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.251 1.02 . . . . 0.0 112.244 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.71 -51.22 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.621 0.646 . . . . 0.0 111.623 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.24 -51.28 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.758 0.823 . . . . 0.0 111.267 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -70.3 -12.73 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.16 -43.46 7.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.396 1.078 . . . . 0.0 112.661 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.1 -26.08 16.18 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -131.78 -43.04 1.0 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -170.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 40.92 63.67 5.59 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 127.94 2.496 . . . . 0.0 114.379 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -68.11 153.83 73.91 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.794 2.996 . . . . 0.0 112.983 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -77.97 -7.98 57.53 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.361 1.864 . . . . 0.0 112.734 -176.542 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -148.01 165.93 29.29 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.301 1.44 . . . . 0.0 112.511 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -78.48 64.34 3.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.409 1.484 . . . . 0.0 112.444 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.89 166.06 36.79 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.979 1.276 . . . . 0.0 114.286 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -72.2 -26.07 61.91 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -175.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -69.39 153.88 42.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.51 1.124 . . . . 0.0 113.395 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.88 144.32 3.29 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.481 1.515 . . . . 0.0 114.066 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.87 102.75 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.004 1.321 . . . . 0.0 109.565 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -65.26 126.27 27.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.685 0.794 . . . . 0.0 110.717 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -142.35 164.57 29.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.576 1.55 . . . . 0.0 112.786 -170.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -131.24 151.87 51.06 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.872 0.869 . . . . 0.0 112.635 169.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -62.76 144.98 55.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.156 1.382 . . . . 0.0 112.222 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -82.04 -23.08 36.09 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.079 1.752 . . . . 0.0 112.514 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -111.74 -28.31 8.15 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -132.35 2.06 3.84 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 59.75 14.73 4.29 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.184 2.194 . . . . 0.0 116.472 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -60.28 144.5 50.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.914 1.286 . . . . 0.0 111.537 169.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.91 139.31 38.64 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.902 1.281 . . . . 0.0 112.272 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -133.6 140.07 46.91 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.543 1.537 . . . . 0.0 111.966 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -74.28 -15.97 60.96 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.55 151.52 39.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.424 1.089 . . . . 0.0 112.488 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.2 -33.32 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.224 1.01 . . . . 0.0 113.15 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.98 -35.29 76.55 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.242 -0.912 . . . . 0.0 111.865 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -68.44 -36.66 79.35 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.747 0.703 . . . . 0.0 111.388 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.22 -45.42 93.43 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.954 -0.466 . . . . 0.0 111.593 169.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.51 -38.15 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.686 -1.259 . . . . 0.0 111.303 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.04 -33.28 74.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.315 1.046 . . . . 0.0 112.502 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -69.49 -51.42 36.04 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.365 0.666 . . . . 0.0 111.777 169.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.69 -50.5 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.972 0.909 . . . . 0.0 111.028 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.36 -12.36 60.01 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -176.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.16 -42.79 5.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.809 1.243 . . . . 0.0 112.773 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.34 -26.06 16.05 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -132.3 -43.01 0.95 Allowed 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 -170.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 35.33 70.75 0.93 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 128.724 2.809 . . . . 0.0 115.21 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.03 149.58 52.09 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 124.387 3.391 . . . . 0.0 114.425 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -82.02 -4.43 56.74 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 127.464 2.306 . . . . 0.0 114.654 -177.182 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -64.9 -16.07 62.79 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.2 1.555 . . . . 0.0 115.2 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -73.5 -16.78 61.28 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.98 1.312 . . . . 0.0 113.948 172.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.96 7.73 67.13 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.539 1.066 . . . . 0.0 114.622 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m 51.51 41.56 28.65 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.601 1.56 . . . . 0.0 113.743 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -68.36 158.01 34.47 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.85 1.26 . . . . 0.0 114.163 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.22 171.36 44.41 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.527 1.536 . . . . 0.0 112.515 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.8 pt -77.61 148.71 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -150.19 142.93 24.66 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.602 1.961 . . . . 0.0 109.626 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -130.35 140.04 50.64 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.541 1.136 . . . . 0.0 111.418 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -139.44 152.05 46.73 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.4 145.2 55.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.308 1.443 . . . . 0.0 111.785 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -86.23 -22.55 26.84 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.138 1.775 . . . . 0.0 112.662 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -109.15 -29.74 8.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -167.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -130.7 2.79 4.49 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 mttp 60.36 15.43 5.43 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.26 2.224 . . . . 0.0 116.412 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -61.37 160.24 11.17 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.699 1.199 . . . . 0.0 111.408 168.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -130.46 136.51 49.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.569 1.148 . . . . 0.0 111.824 -169.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -133.77 154.51 50.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.558 1.543 . . . . 0.0 113.302 -168.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 p -81.69 -17.75 46.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.131 1.773 . . . . 0.0 114.809 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -148.9 148.82 30.3 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 109.527 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.41 -30.18 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 111.53 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -62.45 -44.48 96.3 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.979 1.312 . . . . 0.0 111.195 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -69.85 -39.33 76.45 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.383 1.073 . . . . 0.0 111.354 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.48 -46.43 88.81 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.739 0.815 . . . . 0.0 111.781 170.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.58 -37.98 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 121.021 -1.05 . . . . 0.0 111.171 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.06 78.47 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.861 0.864 . . . . 0.0 111.864 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -65.63 -52.88 48.46 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.823 -0.548 . . . . 0.0 111.324 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -55.76 -49.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.213 1.005 . . . . 0.0 111.645 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -16.56 64.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -176.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -98.44 -38.96 9.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.355 1.062 . . . . 0.0 113.087 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.26 -27.76 15.34 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -169.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -136.01 -41.15 0.67 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t0 37.74 66.72 2.23 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 128.744 2.818 . . . . 0.0 115.759 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -79.07 5.04 6.02 Favored 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 124.843 3.696 . . . . 0.0 113.285 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.03 -16.01 61.51 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.6 1.56 . . . . 0.0 113.877 -170.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.312 1.845 . . . . 0.0 113.113 -179.244 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -68.76 150.95 47.28 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.49 1.116 . . . . 0.0 113.15 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -75.98 160.91 29.37 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.86 1.264 . . . . 0.0 112.884 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 116.08 0.51 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.331 0.967 . . . . 0.0 111.593 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m 53.97 21.6 2.95 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.576 1.551 . . . . 0.0 114.688 -172.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -117.55 -9.27 10.84 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.088 1.755 . . . . 0.0 114.624 -170.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.61 173.18 37.63 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.288 1.423 . . . . 0.0 113.041 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.8 pt -136.91 152.89 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.394 1.477 . . . . 0.0 112.281 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -138.37 153.72 48.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.51 1.924 . . . . 0.0 110.128 169.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -92.81 155.27 17.75 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.985 1.314 . . . . 0.0 110.558 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -131.96 151.16 51.9 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.21 140.36 58.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.125 1.37 . . . . 0.0 111.901 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -78.08 -23.08 48.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -111.63 -30.28 7.41 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -168.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -134.24 6.1 3.57 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 59.64 14.26 3.9 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 127.574 2.35 . . . . 0.0 116.883 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -61.15 151.31 31.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.205 1.802 . . . . 0.0 111.129 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.72 137.01 54.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.257 1.023 . . . . 0.0 112.922 -169.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -133.64 143.0 48.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.635 1.574 . . . . 0.0 112.277 -169.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 m -75.02 -15.3 60.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -146.23 146.38 30.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.644 1.577 . . . . 0.0 110.44 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.18 -29.92 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.674 -0.641 . . . . 0.0 112.366 178.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -64.32 -38.96 92.9 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.992 -1.067 . . . . 0.0 111.679 176.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -68.29 -34.28 75.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.248 0.619 . . . . 0.0 111.834 172.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.79 -47.98 78.73 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 118.734 -0.65 . . . . 0.0 112.084 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.45 -38.41 74.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 120.591 1.541 . . . . 0.0 111.707 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -33.71 76.01 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.571 0.748 . . . . 0.0 112.301 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -68.66 -51.0 46.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.587 0.755 . . . . 0.0 111.534 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.79 -49.64 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.15 0.98 . . . . 0.0 111.357 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -67.29 -14.49 62.96 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.24 -42.51 7.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.675 1.19 . . . . 0.0 112.622 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.77 -26.61 15.07 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.12 -42.31 0.88 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -169.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t0 41.19 61.47 7.47 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 128.194 2.598 . . . . 0.0 114.98 175.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -68.16 153.9 73.63 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.52 2.814 . . . . 0.0 112.259 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -84.26 -2.9 57.75 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.342 1.857 . . . . 0.0 112.652 -179.429 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -147.72 166.08 28.57 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.546 1.538 . . . . 0.0 112.386 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -145.33 157.97 43.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.118 1.367 . . . . 0.0 111.813 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.49 156.34 51.98 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.653 1.121 . . . . 0.0 114.523 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -76.17 -2.19 29.94 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -72.76 -20.7 61.13 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.09 160.28 53.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.19 0.9 . . . . 0.0 113.618 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.78 102.25 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.263 1.425 . . . . 0.0 108.19 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -64.29 123.21 18.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.402 0.681 . . . . 0.0 111.756 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -138.65 160.32 39.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.632 1.573 . . . . 0.0 111.39 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -139.78 151.86 46.12 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.71 146.0 55.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.119 1.368 . . . . 0.0 111.69 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -84.28 -31.64 24.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.674 1.59 . . . . 0.0 112.139 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -100.56 -29.95 12.06 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.37 5.47 4.8 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 59.81 15.28 4.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.532 2.333 . . . . 0.0 116.635 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -63.53 151.29 41.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.826 1.651 . . . . 0.0 111.745 171.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -105.14 141.77 36.1 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.006 1.322 . . . . 0.0 112.513 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -133.95 153.17 51.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.989 1.716 . . . . 0.0 113.14 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 p -90.27 -10.04 45.68 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.57 1.948 . . . . 0.0 115.069 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -153.12 150.82 29.49 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.875 1.67 . . . . 0.0 109.263 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.28 -30.19 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.327 -0.858 . . . . 0.0 111.702 169.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -62.96 -43.17 99.53 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 111.3 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.25 -37.48 74.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.202 1.001 . . . . 0.0 111.37 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.05 -46.94 88.63 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.286 0.635 . . . . 0.0 111.927 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.41 -38.77 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 120.796 -1.19 . . . . 0.0 111.499 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -62.36 -33.22 74.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 0.0 112.553 172.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -68.25 -51.69 42.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.535 0.607 . . . . 0.0 111.691 169.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -55.13 -51.13 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.036 0.934 . . . . 0.0 111.29 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -68.32 -14.53 63.06 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -97.08 -42.42 7.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.58 1.152 . . . . 0.0 112.598 175.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.85 -26.24 15.17 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -133.33 -42.83 0.86 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t0 40.69 63.41 5.61 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 127.956 2.502 . . . . 0.0 114.664 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -70.77 166.98 27.08 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 124.317 3.345 . . . . 0.0 113.119 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -78.48 63.61 3.36 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.158 1.383 . . . . 0.0 111.733 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.01 1.724 . . . . 0.0 113.724 177.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.527 -0.629 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -79.53 -16.75 55.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -174.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 m -68.59 145.99 53.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.676 1.191 . . . . 0.0 112.989 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.75 -4.34 57.81 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.468 1.032 . . . . 0.0 115.666 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -63.4 -11.5 23.42 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.98 1.712 . . . . 0.0 114.988 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -75.82 -9.54 58.68 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.065 1.346 . . . . 0.0 114.144 170.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.54 -153.05 5.92 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.589 1.566 . . . . 0.0 113.413 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.46 156.06 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.299 1.039 . . . . 0.0 113.171 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -131.54 142.0 49.84 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.547 1.539 . . . . 0.0 110.863 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -131.62 160.34 35.64 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.504 1.922 . . . . 0.0 110.944 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -137.05 152.52 50.17 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.32 143.8 57.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.884 1.273 . . . . 0.0 111.879 172.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -80.24 -24.99 39.77 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.201 1.8 . . . . 0.0 112.642 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -110.98 -29.35 7.95 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -167.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.68 1.26 4.94 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 59.06 18.03 6.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.997 2.119 . . . . 0.0 116.229 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -59.61 146.48 40.74 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.786 1.234 . . . . 0.0 110.848 168.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.75 139.29 42.56 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.92 1.288 . . . . 0.0 112.418 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -133.71 146.34 50.71 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.87 1.668 . . . . 0.0 112.057 -173.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -90.48 -1.18 57.89 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.088 1.355 . . . . 0.0 113.511 171.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.14 135.15 20.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.733 1.613 . . . . 0.0 111.679 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.71 -31.85 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.578 0.751 . . . . 0.0 112.791 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.53 -37.66 71.13 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.406 -0.809 . . . . 0.0 111.732 177.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -60.51 -44.65 95.78 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.786 0.834 . . . . 0.0 111.335 169.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -60.18 -46.07 90.96 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.444 0.698 . . . . 0.0 112.364 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.07 -39.58 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.29 -31.64 72.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.376 1.07 . . . . 0.0 112.228 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -69.74 -49.82 49.39 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.866 0.866 . . . . 0.0 111.695 169.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.68 -48.17 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.932 0.893 . . . . 0.0 111.32 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.25 -12.75 60.91 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.1 -40.15 7.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.716 1.206 . . . . 0.0 113.001 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.23 -24.88 13.86 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -169.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -131.61 -35.14 1.31 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -169.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.258 7.4 p-10 38.08 58.76 4.91 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 127.377 2.271 . . . . 0.0 115.383 176.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -73.12 -17.26 24.86 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.697 2.931 . . . . 0.0 114.82 -170.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 53.38 42.93 31.97 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.566 1.546 . . . . 0.0 112.977 -175.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.543 1.937 . . . . 0.0 112.814 -177.206 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -78.47 -18.99 54.06 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -149.72 157.37 43.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.604 1.561 . . . . 0.0 111.614 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.24 168.76 37.51 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.398 1.475 . . . . 0.0 112.975 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -81.18 134.73 35.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.637 0.775 . . . . 0.0 112.056 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -97.2 -6.68 34.16 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.771 1.628 . . . . 0.0 114.552 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.94 -1.8 83.56 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.962 1.268 . . . . 0.0 114.52 -169.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -136.06 111.63 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.975 1.31 . . . . 0.0 110.994 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -140.37 143.65 35.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.163 1.785 . . . . 0.0 110.318 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -132.36 153.41 50.79 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.59 1.556 . . . . 0.0 111.593 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -143.86 152.53 41.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.476 0.71 . . . . 0.0 112.856 169.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.36 146.29 54.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.548 1.139 . . . . 0.0 111.859 171.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -85.07 -25.25 27.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.28 1.832 . . . . 0.0 112.716 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -110.44 -28.91 8.32 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -168.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.48 1.79 5.61 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.01 18.73 6.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.991 2.116 . . . . 0.0 116.267 173.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.93 147.78 42.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.917 1.287 . . . . 0.0 111.091 169.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -104.91 140.07 38.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.154 1.382 . . . . 0.0 112.423 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.36 158.82 43.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.681 1.993 . . . . 0.0 111.603 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 m -110.12 7.08 23.3 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.608 1.163 . . . . 0.0 113.337 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.04 137.09 18.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.519 1.528 . . . . 0.0 111.407 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.44 -31.9 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.182 0.993 . . . . 0.0 113.082 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -70.31 -41.67 73.01 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.532 -0.73 . . . . 0.0 111.334 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -64.12 -39.52 94.21 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.638 0.775 . . . . 0.0 112.131 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.6 -47.88 84.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.76 0.709 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 -38.23 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.023 -1.048 . . . . 0.0 111.108 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.49 -37.71 87.05 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.084 0.954 . . . . 0.0 112.122 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.2 -50.17 69.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.177 0.591 . . . . 0.0 111.718 169.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.27 -51.3 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.614 0.766 . . . . 0.0 111.261 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -69.15 -15.09 63.33 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -94.27 -43.43 8.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.364 1.065 . . . . 0.0 112.744 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 -25.34 15.28 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -170.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -131.86 -42.9 1.0 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -169.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t0 40.5 64.84 4.47 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 127.81 2.444 . . . . 0.0 114.214 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.54 -34.3 9.55 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.349 2.699 . . . . 0.0 114.314 -169.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -160.58 -33.85 0.05 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.989 1.716 . . . . 0.0 112.699 -175.73 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 112.117 -0.393 . . . . 0.0 112.117 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -67.32 149.69 50.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.513 1.125 . . . . 0.0 113.04 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -67.45 143.09 56.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.447 1.099 . . . . 0.0 112.846 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.53 -5.75 89.19 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.529 1.061 . . . . 0.0 115.101 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -142.9 168.47 19.64 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.473 1.909 . . . . 0.0 112.14 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -141.29 151.79 43.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.473 1.509 . . . . 0.0 111.503 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.22 -164.28 13.89 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.18 1.371 . . . . 0.0 113.385 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.5 mm -79.78 94.83 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.892 1.277 . . . . 0.0 109.309 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -68.74 134.49 49.86 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.446 1.098 . . . . 0.0 111.886 -169.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -141.67 169.22 18.0 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.681 1.592 . . . . 0.0 112.812 -169.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -131.11 151.91 50.95 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.993 0.917 . . . . 0.0 112.647 168.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.69 151.12 39.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.658 1.583 . . . . 0.0 112.182 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -88.47 -26.72 21.93 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.515 1.926 . . . . 0.0 112.549 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -108.44 -28.63 9.26 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -167.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.19 1.41 4.68 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 60.8 13.68 4.59 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.403 2.281 . . . . 0.0 116.496 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.11 147.63 50.26 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.591 1.957 . . . . 0.0 112.39 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -99.37 141.54 32.02 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.886 1.274 . . . . 0.0 111.816 -176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -133.02 144.47 50.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.499 1.52 . . . . 0.0 112.491 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 p -72.67 -22.07 60.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.443 1.497 . . . . 0.0 114.653 -172.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -148.43 154.98 40.62 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.357 1.463 . . . . 0.0 110.984 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.52 -31.8 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.423 -0.798 . . . . 0.0 112.946 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.94 -36.45 83.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.369 -0.832 . . . . 0.0 112.138 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.12 -33.84 68.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.233 0.613 . . . . 0.0 111.883 173.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -62.33 -47.91 82.16 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.785 0.72 . . . . 0.0 111.257 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.0 -39.87 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 120.953 -1.092 . . . . 0.0 110.963 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -60.46 -36.3 77.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.645 1.578 . . . . 0.0 112.361 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -68.28 -51.42 45.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.635 0.774 . . . . 0.0 111.92 170.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.1 mt -55.15 -51.38 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.964 0.906 . . . . 0.0 110.791 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -67.4 -12.53 60.47 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -100.77 -42.7 6.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.713 1.205 . . . . 0.0 112.763 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.0 -26.19 15.1 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -170.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -131.57 -40.67 1.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.93 0.892 . . . . 0.0 113.399 -170.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 35.79 73.12 0.68 Allowed Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 129.098 2.959 . . . . 0.0 115.306 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -54.95 151.44 33.57 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.642 3.562 . . . . 0.0 114.413 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -83.67 -1.14 53.37 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.494 1.918 . . . . 0.0 112.806 -179.568 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -136.12 151.55 49.9 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.074 1.35 . . . . 0.0 112.165 -175.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -81.04 -0.87 41.69 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.95 -154.61 10.92 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.427 1.489 . . . . 0.0 112.819 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -72.53 179.37 3.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.982 1.313 . . . . 0.0 113.293 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -69.47 -3.75 15.83 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 173.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.36 175.11 14.04 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.847 1.689 . . . . 0.0 113.56 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.3 mt -83.04 138.23 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.775 1.23 . . . . 0.0 110.184 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -109.81 150.31 28.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.759 1.624 . . . . 0.0 110.51 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -97.61 155.16 17.1 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.747 1.219 . . . . 0.0 111.31 -174.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -146.09 151.85 38.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.11 153.08 22.69 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.192 1.397 . . . . 0.0 112.226 171.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -89.99 -37.08 14.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.493 1.517 . . . . 0.0 111.745 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -100.04 -31.96 11.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.224 1.41 . . . . 0.0 114.431 -167.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -123.65 -2.16 8.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.84 1.256 . . . . 0.0 114.148 174.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.285 63.2 mttp 57.08 26.12 11.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.244 2.217 . . . . 0.0 116.549 169.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -66.37 150.96 48.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.902 2.081 . . . . 0.0 111.077 168.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -102.96 140.76 36.82 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.84 1.256 . . . . 0.0 111.921 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -136.09 143.16 44.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.198 1.799 . . . . 0.0 111.8 -174.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -82.81 -6.38 59.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -150.0 142.3 24.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.6 1.56 . . . . 0.0 112.143 -172.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.98 -32.67 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.885 0.874 . . . . 0.0 113.123 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.43 -33.9 67.44 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.405 -0.81 . . . . 0.0 111.715 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -65.77 -41.62 91.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.557 0.743 . . . . 0.0 111.611 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -60.35 -48.34 82.17 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.26 0.624 . . . . 0.0 111.941 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.38 -39.73 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 121.063 -1.023 . . . . 0.0 111.096 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -63.43 -40.33 96.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.135 0.974 . . . . 0.0 111.854 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -60.69 -47.33 86.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.256 0.622 . . . . 0.0 111.807 170.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -57.87 -51.92 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.841 0.746 . . . . 0.0 111.092 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -69.5 -15.18 63.2 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.31 -43.86 9.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.408 1.083 . . . . 0.0 113.028 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.79 -25.07 14.49 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -169.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -131.22 -39.86 1.16 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 38.27 73.3 0.78 Allowed Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 128.64 2.776 . . . . 0.0 115.414 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.71 152.76 33.17 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 124.55 3.5 . . . . 0.0 114.376 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -75.78 -11.25 59.95 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.236 1.815 . . . . 0.0 112.643 -178.363 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -82.49 -20.31 37.07 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 m -68.94 141.17 55.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.631 1.173 . . . . 0.0 112.634 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.24 170.63 35.59 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.41 1.005 . . . . 0.0 113.803 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m -74.52 157.4 35.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.636 1.174 . . . . 0.0 112.825 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -76.96 -9.44 58.69 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.47 -159.84 51.64 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.775 1.178 . . . . 0.0 114.201 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.94 156.71 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.585 1.554 . . . . 0.0 112.445 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -75.12 -17.48 60.42 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -76.35 89.14 3.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.132 1.373 . . . . 0.0 111.168 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -131.79 151.79 51.42 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.045 1.338 . . . . 0.0 111.928 170.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.71 141.39 58.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.277 1.031 . . . . 0.0 110.943 171.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -81.8 -27.56 33.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.045 1.338 . . . . 0.0 112.218 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -103.69 -31.51 9.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -166.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -127.02 4.74 6.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 60.24 19.48 8.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.469 2.307 . . . . 0.0 116.132 168.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.8 153.52 43.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.745 1.618 . . . . 0.0 111.542 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -114.0 144.18 43.52 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.576 1.551 . . . . 0.0 111.881 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -133.35 146.53 51.37 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.575 1.15 . . . . 0.0 112.796 -169.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -79.41 -14.74 58.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -147.9 144.65 28.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.153 1.381 . . . . 0.0 111.258 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 p -66.61 -30.22 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.52 -33.62 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.375 -0.828 . . . . 0.0 111.779 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.33 -39.67 78.04 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.425 0.557 . . . . 0.0 111.41 172.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.1 tp -60.74 -47.56 85.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.616 0.766 . . . . 0.0 111.992 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.4 -39.08 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.071 -1.018 . . . . 0.0 111.06 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.83 -36.24 82.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.338 1.055 . . . . 0.0 112.208 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -65.0 -51.6 60.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.113 0.565 . . . . 0.0 111.397 169.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.3 -51.05 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.772 0.829 . . . . 0.0 111.46 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -69.09 -14.97 63.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -95.12 -43.12 8.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.393 1.077 . . . . 0.0 112.62 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.01 -26.15 15.65 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -132.84 -41.51 0.93 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -169.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 40.95 64.95 4.67 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 127.876 2.47 . . . . 0.0 114.314 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.94 -29.11 7.09 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.53 2.82 . . . . 0.0 114.568 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -143.94 -61.46 0.39 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.883 1.273 . . . . 0.0 112.451 -175.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.078 1.751 . . . . 0.0 112.869 -174.38 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -132.14 32.5 4.0 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.886 1.274 . . . . 0.0 113.19 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -60.29 127.64 32.8 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.13 -0.981 . . . . 0.0 111.149 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.66 -43.61 1.39 Allowed Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.36 1.457 . . . . 0.0 114.592 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.6 p -70.86 -16.86 62.73 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -73.25 -10.67 60.01 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 169.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.09 155.32 52.64 Favored Glycine 0 CA--C 1.538 1.52 0 CA-C-N 119.176 0.898 . . . . 0.0 113.279 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.56 150.16 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.24 1.416 . . . . 0.0 110.08 -175.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -96.53 58.77 1.75 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.378 1.471 . . . . 0.0 114.207 -171.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -69.22 151.2 46.59 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.43 -0.794 . . . . 0.0 111.826 171.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -135.4 153.21 51.88 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.989 0.916 . . . . 0.0 112.989 170.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.02 145.02 56.33 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.16 1.384 . . . . 0.0 112.416 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 tpt85 -82.16 -25.67 34.13 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.598 1.959 . . . . 0.0 112.638 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -110.89 -28.89 8.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -168.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -132.47 4.45 3.97 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 58.75 16.13 4.23 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.472 2.309 . . . . 0.0 116.781 172.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -62.31 149.83 41.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.644 1.578 . . . . 0.0 111.591 169.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.0 mtmt -101.42 138.67 38.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.695 1.198 . . . . 0.0 112.305 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -134.0 141.92 47.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.804 1.642 . . . . 0.0 111.889 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -78.39 -8.91 59.0 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.61 151.81 29.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.662 1.585 . . . . 0.0 110.787 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -62.34 -32.65 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.393 -0.817 . . . . 0.0 113.153 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -68.14 -34.71 76.84 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.272 -0.893 . . . . 0.0 112.012 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -70.06 -38.56 75.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.25 0.62 . . . . 0.0 111.16 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.37 -46.6 89.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.253 0.621 . . . . 0.0 111.676 169.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.72 -41.01 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 120.978 -1.076 . . . . 0.0 110.982 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -60.87 -40.3 92.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.25 1.02 . . . . 0.0 113.066 171.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -61.03 -46.98 88.52 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.368 0.531 . . . . 0.0 111.67 171.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.65 -51.08 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 111.181 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -18.32 63.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -95.77 -32.57 12.64 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.88 -21.98 11.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -129.48 -34.78 1.78 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.268 7.2 p-10 39.23 56.5 5.94 Favored Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 127.209 2.203 . . . . 0.0 115.828 176.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.46 -2.71 12.91 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 124.477 3.451 . . . . 0.0 114.521 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -89.57 10.94 21.09 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.544 1.538 . . . . 0.0 113.817 -174.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.602 1.561 . . . . 0.0 114.75 -179.864 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -67.35 145.21 55.32 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.404 1.082 . . . . 0.0 112.978 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -83.85 -26.0 29.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.617 1.167 . . . . 0.0 113.932 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.74 156.55 42.63 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.722 1.153 . . . . 0.0 114.029 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -140.2 140.45 35.87 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.665 1.586 . . . . 0.0 111.606 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 m -82.95 48.05 1.3 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.447 1.499 . . . . 0.0 112.806 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.06 -144.35 33.37 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.386 0.993 . . . . 0.0 112.936 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.91 153.28 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.572 1.149 . . . . 0.0 113.308 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -131.88 139.34 48.76 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.543 1.537 . . . . 0.0 110.948 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -106.86 146.46 30.93 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.357 1.463 . . . . 0.0 111.01 177.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -150.68 149.41 29.79 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.226 1.01 . . . . 0.0 112.57 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.08 129.14 34.92 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.715 1.206 . . . . 0.0 110.935 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -78.6 -17.91 55.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -96.64 -33.86 11.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.39 5.17 5.71 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt 63.23 18.21 10.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.002 2.121 . . . . 0.0 115.488 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.57 163.72 15.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.828 1.251 . . . . 0.0 112.491 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -117.47 141.99 47.68 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.068 1.747 . . . . 0.0 111.331 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.85 159.23 41.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.602 1.961 . . . . 0.0 112.048 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -86.9 -73.61 0.46 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.813 1.245 . . . . 0.0 111.393 174.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.17 142.18 28.82 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.915 1.286 . . . . 0.0 112.214 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -65.26 -29.39 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.199 -0.938 . . . . 0.0 113.009 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -69.57 -33.31 72.55 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.366 -0.834 . . . . 0.0 111.821 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -70.19 -41.03 74.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.363 0.665 . . . . 0.0 111.113 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -60.04 -47.66 84.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.655 0.782 . . . . 0.0 111.851 171.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.72 -39.33 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 111.298 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.0 -42.37 99.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.134 0.974 . . . . 0.0 111.621 173.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -59.8 -46.84 87.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.364 0.666 . . . . 0.0 111.794 171.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.62 -51.79 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 118.73 0.695 . . . . 0.0 111.101 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -70.0 -16.35 63.16 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -88.75 -43.91 10.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.366 1.067 . . . . 0.0 113.028 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.72 -24.79 14.33 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -169.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -130.57 -41.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -169.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 41.58 64.16 5.7 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 127.953 2.501 . . . . 0.0 114.728 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -67.51 156.79 64.64 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.815 3.01 . . . . 0.0 113.144 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -81.5 -3.92 54.45 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.574 1.95 . . . . 0.0 113.837 -179.797 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 t -148.57 164.21 34.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.442 1.497 . . . . 0.0 111.772 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 p -73.36 -20.54 60.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.87 1.268 . . . . 0.0 113.679 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.94 172.48 19.04 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.824 1.678 . . . . 0.0 113.408 175.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -71.93 -26.07 62.15 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.122 0.969 . . . . 0.0 113.481 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -149.59 146.41 27.3 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.344 1.858 . . . . 0.0 109.977 170.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.41 -146.01 48.46 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 123.722 0.677 . . . . 0.0 113.096 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.8 mm -125.21 143.22 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.558 1.943 . . . . 0.0 109.198 177.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -56.49 145.68 27.08 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.316 1.047 . . . . 0.0 112.449 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -114.02 139.32 49.37 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.091 1.756 . . . . 0.0 110.084 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -128.26 140.33 51.95 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.379 -0.826 . . . . 0.0 113.014 -169.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.8 132.4 47.35 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.012 0.911 . . . . 0.0 112.32 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -70.29 -24.69 63.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.241 1.816 . . . . 0.0 112.913 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.21 -30.02 6.76 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -168.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -131.16 7.28 4.61 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 59.21 17.4 5.65 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.379 2.272 . . . . 0.0 116.427 171.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -63.7 156.37 27.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.796 1.639 . . . . 0.0 111.748 169.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.41 137.87 53.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.835 1.254 . . . . 0.0 112.726 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -133.82 151.39 51.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.997 2.119 . . . . 0.0 111.275 -170.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.4 m -95.75 -4.22 44.43 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -146.02 140.29 26.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.169 1.388 . . . . 0.0 110.407 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.24 -28.56 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.283 0.633 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -68.4 -37.8 80.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.725 0.81 . . . . 0.0 111.534 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -68.25 -40.65 81.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.287 0.635 . . . . 0.0 110.991 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -59.34 -47.15 86.52 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.429 0.692 . . . . 0.0 111.717 170.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.95 -45.9 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 121.152 -0.968 . . . . 0.0 110.91 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.9 -31.31 70.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.923 1.238 . . . . 0.0 112.476 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -66.16 -50.15 64.94 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.643 0.656 . . . . 0.0 111.926 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.76 -46.55 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.101 0.864 . . . . 0.0 111.15 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . 0.255 4.4 tpm_? -60.98 -23.39 65.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 129.157 2.983 . . . . 0.0 113.752 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -97.7 -44.26 6.84 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.179 1.391 . . . . 0.0 113.889 173.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.53 -27.14 14.17 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -168.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -135.94 3.47 2.94 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.88 132.48 66.76 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.148 1.779 . . . . 0.0 115.043 -168.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.62 -7.04 13.62 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.942 3.094 . . . . 0.0 114.433 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.75 36.89 27.38 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.656 1.583 . . . . 0.0 113.424 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.841 2.056 . . . . 0.0 112.885 -176.369 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_