data_2rv4_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 2rv4 _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 . . . . . . . . . . . . . 45.6 p-80 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.28 127.48 32.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.629 1.172 . . . . 0.0 110.664 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -80.02 -8.18 59.22 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.567 0.747 . . . . 0.0 112.995 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -101.58 -48.2 4.4 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.803 1.241 . . . . 0.0 112.503 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -120.46 5.1 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -175.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 62.43 15.73 8.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.745 2.018 . . . . 0.0 115.432 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.77 168.35 16.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.24 169.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.61 147.36 52.28 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.055 1.342 . . . . 0.0 112.863 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -138.23 148.95 45.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.177 1.791 . . . . 0.0 110.899 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -77.96 -4.62 47.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -153.09 163.26 40.18 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.446 1.898 . . . . 0.0 111.445 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 p -75.21 -28.48 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -73.53 -41.94 62.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.093 -1.004 . . . . 0.0 111.6 -171.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -66.49 -32.16 73.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.492 0.717 . . . . 0.0 112.237 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.41 -42.6 87.58 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.681 0.673 . . . . 0.0 112.202 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.77 -41.95 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 120.982 -1.074 . . . . 0.0 110.789 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.24 -43.13 99.38 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.614 -0.679 . . . . 0.0 112.078 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -58.67 -46.18 87.76 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.609 0.763 . . . . 0.0 112.285 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -48.67 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.569 0.747 . . . . 0.0 110.445 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -65.19 -30.52 71.43 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.05 -39.51 25.65 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 40.2 mtp -107.56 -21.91 12.72 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -170.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -169.884 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.12 155.36 28.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.721 1.609 . . . . 0.0 112.28 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -107.47 -4.26 18.64 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.003 1.721 . . . . 0.0 113.172 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.25 -30.46 5.6 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.065 1.346 . . . . 0.0 113.086 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -133.03 1.64 3.56 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.07 15.77 3.41 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.431 2.292 . . . . 0.0 116.551 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -67.48 150.55 48.73 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.677 1.191 . . . . 0.0 111.965 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -97.74 142.86 29.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.714 1.606 . . . . 0.0 112.384 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -134.16 152.34 51.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.552 1.941 . . . . 0.0 111.007 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -86.21 -6.78 58.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -147.85 141.58 25.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.389 1.476 . . . . 0.0 112.019 -173.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.54 -35.55 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.3 -37.39 66.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.148 0.886 . . . . 0.0 111.049 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -63.89 -37.23 86.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.395 1.078 . . . . 0.0 111.89 169.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.84 -42.47 90.46 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.753 0.706 . . . . 0.0 112.344 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.67 -38.88 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 121.155 -0.965 . . . . 0.0 110.556 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.47 -45.01 96.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.758 0.823 . . . . 0.0 111.876 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -56.7 -49.09 76.18 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.557 0.743 . . . . 0.0 111.652 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.05 -49.68 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.616 0.766 . . . . 0.0 110.927 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -74.7 -19.75 60.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -87.77 -36.35 17.36 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.98 -28.97 12.45 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 . . . . . 0 N--CA 1.476 0.829 0 C-N-CA 124.173 0.989 . . . . 0.0 113.546 -169.073 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.7 p80 . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -66.75 153.96 41.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.871 1.668 . . . . 0.0 111.904 171.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -105.45 -9.03 17.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.596 1.559 . . . . 0.0 113.727 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -107.96 -30.92 8.2 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.829 1.252 . . . . 0.0 113.15 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -135.92 1.07 2.72 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.3 1.44 . . . . 0.0 114.645 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.43 17.59 6.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.174 2.19 . . . . 0.0 116.825 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.6 157.13 24.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.169 0.895 . . . . 0.0 111.51 168.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.35 144.22 40.9 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.916 1.687 . . . . 0.0 112.14 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.3 141.35 37.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.58 1.552 . . . . 0.0 111.638 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -67.89 -15.14 63.48 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -173.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.56 163.05 39.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.864 1.665 . . . . 0.0 111.977 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.75 -28.53 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.772 0.829 . . . . 0.0 113.123 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.97 -40.49 62.96 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.516 -0.74 . . . . 0.0 111.317 -173.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -66.51 -34.72 78.55 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.761 0.824 . . . . 0.0 112.084 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.06 -47.03 81.74 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.663 0.665 . . . . 0.0 111.91 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.01 -41.43 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.32 -0.863 . . . . 0.0 110.753 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.03 -44.23 97.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.446 0.698 . . . . 0.0 111.893 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -57.55 -47.09 82.98 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.759 0.823 . . . . 0.0 112.254 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.83 -47.59 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.144 0.577 . . . . 0.0 110.143 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.26 -30.06 70.9 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.104 0.962 . . . . 0.0 113.342 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.42 -40.2 30.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mtp -112.22 -18.89 12.43 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -168.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 N--CA 1.476 0.864 0 CA-C-N 119.503 1.047 . . . . 0.0 113.632 -171.65 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.13 135.31 54.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.087 1.355 . . . . 0.0 112.665 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -70.4 -28.94 65.47 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.285 1.034 . . . . 0.0 112.062 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -100.12 -33.43 10.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 113.679 -169.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.4 6.65 3.83 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.65 13.42 3.4 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.36 2.264 . . . . 0.0 116.683 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -68.03 148.9 50.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.289 1.036 . . . . 0.0 111.507 172.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -93.54 144.64 25.17 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.701 1.6 . . . . 0.0 112.439 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -138.7 135.25 34.58 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.774 1.63 . . . . 0.0 112.045 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -10.76 59.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.2 141.59 25.27 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.819 1.248 . . . . 0.0 111.349 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.36 -33.8 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.35 -34.6 68.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.152 0.887 . . . . 0.0 111.235 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -66.27 -38.79 88.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.855 0.862 . . . . 0.0 111.083 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.25 -42.37 96.54 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.537 -0.727 . . . . 0.0 112.339 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.93 -42.29 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.014 -1.054 . . . . 0.0 110.687 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.94 -43.06 99.21 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.482 0.713 . . . . 0.0 112.254 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.26 -46.62 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.831 0.742 . . . . 0.0 112.002 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.03 -48.41 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.653 -0.655 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -68.59 -25.11 64.71 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -86.28 -34.5 20.35 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -108.68 -25.52 10.81 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -171.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.671 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.3 m80 . . . . . 0 CA--C 1.538 0.503 0 CA-C-O 120.269 0.081 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.49 154.93 16.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.828 1.651 . . . . 0.0 113.956 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -84.03 -23.77 30.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.509 1.924 . . . . 0.0 112.66 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -119.93 -25.33 5.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -130.28 0.48 4.6 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 56.61 10.61 0.73 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.602 2.361 . . . . 0.0 116.425 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.72 149.83 48.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.474 1.11 . . . . 0.0 111.71 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -95.8 143.46 27.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.874 1.27 . . . . 0.0 112.565 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.87 157.57 37.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.648 1.579 . . . . 0.0 111.225 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -82.56 -11.64 58.29 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -150.16 142.86 24.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.758 1.623 . . . . 0.0 111.364 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.82 -33.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 113.204 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -74.35 -40.04 62.4 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.527 -0.733 . . . . 0.0 109.848 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -64.82 -36.58 84.78 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.21 1.404 . . . . 0.0 111.993 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.21 -42.1 93.82 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.063 0.847 . . . . 0.0 112.162 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.372 -0.83 . . . . 0.0 110.201 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -62.22 -38.41 89.09 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.303 -0.873 . . . . 0.0 112.613 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -58.5 -42.96 88.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.773 0.829 . . . . 0.0 111.648 169.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.33 -40.7 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.401 -0.812 . . . . 0.0 111.154 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -68.86 -23.91 64.29 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.93 -35.16 13.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.13 0.972 . . . . 0.0 113.456 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.01 -24.03 10.16 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -172.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -168.381 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -66.89 134.58 52.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.4 1.08 . . . . 0.0 111.702 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.4 -22.1 52.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.117 0.967 . . . . 0.0 112.656 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -103.42 -34.52 8.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.56 1.144 . . . . 0.0 113.597 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -132.65 7.0 4.09 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 59.04 18.94 6.76 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 127.033 2.133 . . . . 0.0 116.103 169.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.5 161.03 30.33 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.712 1.205 . . . . 0.0 111.9 170.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -114.03 141.99 46.74 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.838 1.655 . . . . 0.0 112.212 -169.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -136.62 154.66 50.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.018 1.727 . . . . 0.0 111.683 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 m -87.66 -8.78 55.72 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -154.74 162.35 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.904 1.682 . . . . 0.0 111.742 -175.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.6 -27.89 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.34 -41.78 55.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.362 -0.836 . . . . 0.0 111.57 -171.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -66.53 -33.94 76.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.624 0.77 . . . . 0.0 112.276 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.87 -47.29 81.26 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.607 0.64 . . . . 0.0 111.761 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.31 -42.08 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.826 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.35 -42.64 96.13 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.722 0.809 . . . . 0.0 111.98 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -59.96 -46.91 87.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.74 0.816 . . . . 0.0 111.987 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.41 -45.09 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.576 -0.702 . . . . 0.0 110.7 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -30.24 71.25 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.151 0.98 . . . . 0.0 113.476 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -87.52 -33.83 18.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.826 1.046 . . . . 0.0 113.826 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.0 -25.43 9.39 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -168.227 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.3 p80 . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.2 145.56 55.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.756 1.622 . . . . 0.0 111.978 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -12.84 35.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.901 1.681 . . . . 0.0 112.599 175.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -117.34 -29.34 5.88 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -135.73 6.72 3.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 57.67 15.59 2.97 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 127.757 2.423 . . . . 0.0 117.321 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -69.32 160.62 30.93 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.461 1.104 . . . . 0.0 111.632 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -114.33 148.53 37.43 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.289 1.436 . . . . 0.0 113.288 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -136.35 159.46 41.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.783 2.033 . . . . 0.0 111.131 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -79.97 -13.68 59.16 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -156.32 163.61 39.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.712 1.605 . . . . 0.0 112.021 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.28 -28.87 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -75.38 -43.56 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.17 -0.956 . . . . 0.0 111.239 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -66.53 -31.43 72.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.471 0.709 . . . . 0.0 112.313 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.46 -45.16 88.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.56 0.618 . . . . 0.0 112.016 170.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.5 -42.16 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.126 -0.984 . . . . 0.0 110.671 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.57 -43.1 93.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.838 0.744 . . . . 0.0 112.057 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -58.15 -48.89 78.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.733 0.697 . . . . 0.0 111.628 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.69 -46.23 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.284 0.634 . . . . 0.0 110.994 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -70.69 -30.51 67.1 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -82.48 -33.62 28.32 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.15 -27.2 11.73 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -168.637 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.6 p80 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 120.737 0.303 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.19 145.62 50.48 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.093 0.949 . . . . 0.0 111.392 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -102.1 2.47 37.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.046 1.739 . . . . 0.0 112.201 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -126.74 -29.42 2.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.545 1.538 . . . . 0.0 113.441 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -133.72 8.7 3.88 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 58.49 12.66 2.16 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.12 142.74 55.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.581 1.152 . . . . 0.0 111.677 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -77.54 139.87 39.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.427 1.091 . . . . 0.0 111.301 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.41 141.39 49.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.578 1.551 . . . . 0.0 112.582 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -70.26 -26.05 63.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.362 1.465 . . . . 0.0 114.197 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -153.04 147.37 25.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.833 1.253 . . . . 0.0 112.008 -175.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.54 -34.09 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -75.36 -37.67 60.49 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.601 1.091 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.38 -41.46 89.41 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 111.002 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.03 -41.45 90.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.438 -0.789 . . . . 0.0 112.766 173.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.71 -38.64 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.725 1.148 . . . . 0.0 110.824 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.438 0.695 . . . . 0.0 111.97 171.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.69 -46.43 89.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.937 0.789 . . . . 0.0 112.286 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.21 -48.4 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 110.307 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.19 -26.93 66.87 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -83.11 -39.26 21.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 mtp -108.76 -19.78 13.3 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -170.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 . . . . . 0 N--CA 1.475 0.781 0 CA-C-N 119.331 0.969 . . . . 0.0 113.457 -171.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.2 136.17 53.18 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.867 1.667 . . . . 0.0 112.445 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -77.33 -19.3 56.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.292 1.437 . . . . 0.0 112.657 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -110.84 -29.82 7.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -136.83 8.96 3.05 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 59.02 14.49 3.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 169.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -66.83 156.25 36.11 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.641 1.177 . . . . 0.0 111.449 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -124.35 141.21 52.25 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.183 1.393 . . . . 0.0 112.147 -170.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.95 144.53 39.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.767 1.627 . . . . 0.0 111.473 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 m -84.02 2.59 38.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -146.42 138.08 24.69 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.934 1.694 . . . . 0.0 111.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -71.35 -32.98 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.55 -36.9 65.7 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.406 -0.809 . . . . 0.0 111.298 -175.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -63.06 -39.8 95.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.335 1.054 . . . . 0.0 111.89 169.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.74 -45.46 89.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.563 0.62 . . . . 0.0 111.843 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.79 -42.04 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 110.808 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.6 -42.73 98.23 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.487 -0.758 . . . . 0.0 111.997 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -56.12 -46.49 79.14 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.229 0.922 . . . . 0.0 111.488 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.91 -48.15 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.598 0.759 . . . . 0.0 110.294 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -63.89 -33.22 75.22 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.78 1.232 . . . . 0.0 113.45 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.9 -35.63 32.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.888 0.875 . . . . 0.0 113.204 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtp -112.03 -19.79 12.2 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -170.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 . . . . . 0 N--CA 1.476 0.85 0 CA-C-N 119.234 0.925 . . . . 0.0 113.405 -172.806 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.532 0.682 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.24 149.81 32.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.136 1.374 . . . . 0.0 111.687 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -109.51 5.55 23.31 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.149 1.779 . . . . 0.0 113.271 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -120.54 -32.13 4.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.481 1.512 . . . . 0.0 112.833 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -136.59 9.12 3.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 59.42 10.79 1.96 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 118.028 2.603 . . . . 0.0 118.028 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -70.63 148.95 47.53 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.386 1.074 . . . . 0.0 112.393 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -91.34 147.92 22.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.654 1.582 . . . . 0.0 112.648 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.19 154.06 51.74 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.167 1.787 . . . . 0.0 111.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 m -83.01 -11.68 57.91 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -152.55 145.44 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.244 1.417 . . . . 0.0 111.973 -172.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.03 -32.87 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -75.51 -36.82 60.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.25 0.932 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.18 -38.09 89.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.604 0.762 . . . . 0.0 111.848 170.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.17 -41.56 97.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.485 0.714 . . . . 0.0 112.487 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.402 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -64.16 -33.46 75.84 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.071 -1.018 . . . . 0.0 112.869 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -61.04 -43.04 99.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.311 0.959 . . . . 0.0 111.322 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.0 -41.32 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.473 -0.767 . . . . 0.0 110.832 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -61.46 -32.42 72.41 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.04 -35.11 16.54 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.63 -24.75 9.48 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -170.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 114.663 1.356 . . . . 0.0 114.663 -167.55 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 120.4 0.143 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.79 135.89 57.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.582 0.753 . . . . 0.0 111.725 170.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -73.26 -22.36 60.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.16 1.384 . . . . 0.0 112.695 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -114.49 -28.82 7.05 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.12 10.82 4.59 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.31 8.49 1.15 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.979 2.512 . . . . 0.0 117.657 169.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -66.27 142.67 57.6 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 111.871 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -73.59 148.19 43.16 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 111.394 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -132.68 152.96 51.56 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.1 p -89.0 -19.37 25.77 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.977 1.711 . . . . 0.0 115.284 -171.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.88 147.85 27.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.35 1.46 . . . . 0.0 109.981 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.56 -35.11 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.533 -0.73 . . . . 0.0 112.293 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -74.75 -33.79 62.4 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.635 -0.666 . . . . 0.0 111.309 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.0 -39.99 87.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.67 1.188 . . . . 0.0 111.093 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.41 -46.1 90.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.508 1.123 . . . . 0.0 112.194 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.35 -40.07 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.368 -0.833 . . . . 0.0 110.887 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -42.94 98.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.797 0.839 . . . . 0.0 111.948 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -58.79 -46.49 87.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.083 173.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.72 -43.89 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.271 0.629 . . . . 0.0 110.962 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.2 mtp-105 -69.98 -21.82 63.2 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -90.6 -40.7 11.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.311 1.044 . . . . 0.0 113.641 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtp -107.32 -20.64 13.21 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 125.137 1.375 . . . . 0.0 111.841 -170.094 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.24 124.95 25.19 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.566 0.746 . . . . 0.0 109.997 169.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -71.64 -19.87 62.04 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 111.644 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -104.33 -33.14 8.75 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.992 1.317 . . . . 0.0 114.014 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 p -133.63 11.17 4.05 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.88 14.77 5.45 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.983 2.513 . . . . 0.0 117.717 167.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -73.84 171.14 13.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.659 1.583 . . . . 0.0 111.459 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 137.81 48.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.161 1.384 . . . . 0.0 112.101 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -114.09 165.43 12.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.489 1.516 . . . . 0.0 113.537 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 p -72.88 -27.17 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.055 1.342 . . . . 0.0 114.143 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.64 153.69 32.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.893 1.677 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -57.81 -35.78 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.297 -0.877 . . . . 0.0 111.739 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -71.4 -12.08 61.22 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.361 -0.837 . . . . 0.0 112.894 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -95.82 -30.78 13.5 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.243 1.417 . . . . 0.0 111.866 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.49 -41.71 94.81 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.542 -0.724 . . . . 0.0 111.662 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.24 -34.86 69.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 120.965 -1.084 . . . . 0.0 111.852 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -64.42 -37.54 87.9 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.357 0.981 . . . . 0.0 112.028 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -64.07 -49.16 73.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.043 0.537 . . . . 0.0 111.564 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.58 -48.0 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.84 0.746 . . . . 0.0 110.991 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -67.77 -24.43 65.33 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.25 -36.1 12.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.386 1.074 . . . . 0.0 113.514 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.3 mmm -101.47 -25.75 13.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -172.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -169.601 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 . . . . . 0 CA--C 1.539 0.535 0 CA-C-O 119.956 -0.068 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.63 136.62 57.97 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.745 0.783 . . . . 0.0 112.395 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -72.5 -11.52 60.7 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.923 1.289 . . . . 0.0 112.99 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.25 -28.92 3.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.917 1.287 . . . . 0.0 114.047 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -137.14 10.6 3.03 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 58.69 6.62 0.63 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -63.49 149.42 46.17 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.82 1.191 . . . . 0.0 112.208 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.94 137.55 32.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.023 1.329 . . . . 0.0 113.037 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -135.76 149.29 49.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.459 1.904 . . . . 0.0 111.757 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 p -74.41 -23.49 58.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -173.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -151.91 154.7 36.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.057 1.743 . . . . 0.0 110.382 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -57.8 -36.29 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.594 -0.691 . . . . 0.0 112.737 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.58 -30.82 64.73 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.891 1.223 . . . . 0.0 112.176 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -67.12 -34.86 78.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.669 0.788 . . . . 0.0 110.874 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp -69.4 -38.94 78.18 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.579 169.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.99 -42.96 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 120.233 1.379 . . . . 0.0 110.062 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -60.19 -45.15 94.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.817 0.847 . . . . 0.0 112.116 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -59.28 -46.35 88.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.714 0.688 . . . . 0.0 112.389 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.1 -48.09 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.458 0.703 . . . . 0.0 110.455 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.86 -28.58 69.07 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -83.21 -38.4 22.32 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.3 mtp -112.09 -17.83 12.73 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -169.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 . . . . . 0 N--CA 1.474 0.762 0 CA-C-N 119.659 1.118 . . . . 0.0 113.782 -173.68 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.26 148.36 41.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.012 1.325 . . . . 0.0 111.668 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -88.43 -23.59 23.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 112.433 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -110.64 -28.51 8.44 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p -132.31 6.42 4.16 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp 59.07 12.79 2.58 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.19 2.596 . . . . 0.0 117.569 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -67.68 148.97 50.61 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.423 1.089 . . . . 0.0 112.141 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -91.6 148.69 22.09 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.907 1.683 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -135.28 152.38 51.45 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.8 p -78.04 -23.38 48.19 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.229 1.411 . . . . 0.0 114.547 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -154.03 153.16 31.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.403 1.481 . . . . 0.0 110.953 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.01 -33.31 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 121.484 -0.76 . . . . 0.0 112.551 178.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -71.42 -34.6 70.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.779 -0.576 . . . . 0.0 111.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.0 -37.74 78.87 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.847 0.859 . . . . 0.0 111.717 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.75 -48.3 79.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.278 0.631 . . . . 0.0 111.971 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.1 mt -65.05 -40.97 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.865 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -58.4 -42.83 88.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.621 1.168 . . . . 0.0 112.191 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -61.2 -47.87 84.13 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.438 0.695 . . . . 0.0 112.324 173.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.09 -42.59 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.644 -0.66 . . . . 0.0 110.947 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -69.58 -21.24 63.62 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -90.02 -38.48 13.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.043 0.937 . . . . 0.0 113.439 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.0 mtp -112.39 -20.2 11.89 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 124.446 1.099 . . . . 0.0 113.501 -169.231 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 p80 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.0 147.46 53.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.053 1.341 . . . . 0.0 111.056 169.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -96.72 -15.22 21.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.975 1.31 . . . . 0.0 113.371 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -102.03 -36.76 8.47 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.787 1.235 . . . . 0.0 112.751 -174.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -130.91 6.52 4.65 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.29 1.436 . . . . 0.0 114.668 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 58.59 17.16 4.78 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.614 2.366 . . . . 0.0 117.178 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -68.84 160.33 30.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.676 1.191 . . . . 0.0 111.957 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -115.91 145.48 42.86 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.727 1.611 . . . . 0.0 112.722 -171.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -139.46 145.96 39.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.932 1.693 . . . . 0.0 112.432 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -81.21 -13.0 59.01 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.199 1.0 . . . . 0.0 113.595 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -148.23 142.17 25.84 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.838 1.255 . . . . 0.0 112.277 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.07 -31.95 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -74.74 -36.6 62.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.135 0.88 . . . . 0.0 110.333 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.62 -37.41 87.24 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.504 0.722 . . . . 0.0 112.401 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.97 -46.27 89.98 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.787 0.721 . . . . 0.0 111.56 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.46 -44.25 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.238 -0.914 . . . . 0.0 110.831 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -59.19 -41.15 87.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.551 1.14 . . . . 0.0 112.436 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -60.57 -43.42 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.303 0.641 . . . . 0.0 111.868 171.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.46 -40.33 88.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.541 -0.724 . . . . 0.0 110.966 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -62.59 -34.86 77.84 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.921 1.237 . . . . 0.0 112.981 173.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.77 -35.86 22.12 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -112.25 -24.41 9.84 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -171.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 . . . . . 0 CA--C 1.548 0.87 0 C-N-CA 124.79 1.236 . . . . 0.0 112.288 -168.732 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.08 141.62 58.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.717 1.207 . . . . 0.0 113.846 -169.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.89 -16.4 58.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.275 1.43 . . . . 0.0 112.925 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -117.71 -32.26 4.9 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.566 1.146 . . . . 0.0 113.845 -169.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.4 p -134.47 3.62 3.34 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 57.3 18.34 4.25 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.261 2.224 . . . . 0.0 116.641 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.9 150.7 36.76 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.269 -0.894 . . . . 0.0 111.642 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -104.96 140.52 38.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.376 1.87 . . . . 0.0 113.172 -170.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -139.41 153.4 47.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.753 1.621 . . . . 0.0 112.963 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.2 p -88.45 -17.04 31.25 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 114.204 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -148.71 147.13 28.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.245 1.418 . . . . 0.0 111.56 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.18 -34.69 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.19 -35.25 71.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 111.468 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -64.53 -38.97 92.87 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.927 0.891 . . . . 0.0 111.193 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.14 -41.65 81.32 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 173.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.25 -41.88 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.743 1.156 . . . . 0.0 110.744 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -61.52 -38.32 86.95 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.467 0.707 . . . . 0.0 112.421 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -49.6 73.18 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.703 0.683 . . . . 0.0 112.077 171.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.94 -44.19 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.757 0.823 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.62 -6.19 52.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -99.15 -33.34 10.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.0 mmm -112.13 -25.13 9.49 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -171.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 124.803 1.241 . . . . 0.0 113.976 -168.637 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m170 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.28 142.56 55.53 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.516 1.526 . . . . 0.0 111.996 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -86.14 -23.28 26.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.783 1.233 . . . . 0.0 112.426 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -103.14 -34.3 8.9 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.682 1.193 . . . . 0.0 113.212 -169.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -133.31 4.7 3.73 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.64 12.14 3.49 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.322 2.249 . . . . 0.0 116.262 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -65.94 164.15 15.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.676 1.19 . . . . 0.0 111.331 169.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -132.75 142.56 49.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 113.276 -166.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -136.19 148.77 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.186 1.795 . . . . 0.0 111.237 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -80.45 -2.13 44.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.51 144.83 25.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.058 1.743 . . . . 0.0 111.374 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.61 -30.73 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -37.8 80.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.652 1.114 . . . . 0.0 110.54 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -62.64 -42.1 99.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.501 1.12 . . . . 0.0 111.959 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -64.68 -42.29 95.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.79 0.723 . . . . 0.0 112.144 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.72 -44.03 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.139 -0.976 . . . . 0.0 110.244 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -64.89 -36.15 83.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.261 0.937 . . . . 0.0 112.597 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -59.38 -43.95 92.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.044 0.838 . . . . 0.0 111.395 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -63.38 -43.12 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.696 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -60.91 -34.78 75.2 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.373 0.988 . . . . 0.0 113.447 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.21 -34.56 22.01 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.37 -26.57 8.67 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.358 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.0 p80 . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 121.353 0.597 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.81 145.61 55.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.217 1.407 . . . . 0.0 111.377 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -93.46 -19.22 21.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.03 0.932 . . . . 0.0 113.312 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.38 -45.45 9.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.975 0.91 . . . . 0.0 112.043 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.11 2.99 9.88 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.126 1.37 . . . . 0.0 114.624 -176.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.9 11.62 3.38 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.3 150.01 48.75 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.172 -0.955 . . . . 0.0 112.042 172.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -97.0 147.96 23.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 112.292 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -136.19 161.42 35.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.232 1.813 . . . . 0.0 111.767 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -42.07 16.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 0.0 112.597 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.04 147.53 52.45 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.111 1.364 . . . . 0.0 112.151 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.51 -34.95 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.266 0.626 . . . . 0.0 112.413 -175.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -66.9 -38.44 86.25 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.826 -0.546 . . . . 0.0 111.847 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.54 -37.64 71.11 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.189 0.995 . . . . 0.0 111.342 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.92 -42.02 98.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.698 0.799 . . . . 0.0 112.261 171.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.53 -42.27 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.179 -0.95 . . . . 0.0 110.663 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.03 -37.39 84.71 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.154 0.888 . . . . 0.0 112.643 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -60.63 -48.94 79.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.623 170.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.93 -44.53 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.432 0.693 . . . . 0.0 110.902 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -72.21 -11.12 60.58 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -102.02 -33.61 9.65 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.449 1.099 . . . . 0.0 113.225 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.6 mmm -110.93 -25.41 9.84 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 . . . . . 0 CA--C 1.548 0.883 0 C-N-CA 124.658 1.183 . . . . 0.0 113.339 -168.341 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.18 136.45 55.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.549 1.54 . . . . 0.0 112.402 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -7.76 59.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.676 1.59 . . . . 0.0 112.878 176.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -124.79 -28.82 3.47 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -136.76 11.66 3.15 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 58.74 12.44 2.23 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 169.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -70.03 166.92 18.7 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.511 1.124 . . . . 0.0 112.281 171.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 157.33 45.22 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -134.82 162.39 32.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.526 1.131 . . . . 0.0 113.597 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.2 p -89.83 -14.86 33.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.674 1.59 . . . . 0.0 114.021 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -150.37 152.63 34.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.795 1.638 . . . . 0.0 109.891 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.74 -28.75 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.908 0.883 . . . . 0.0 113.054 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -68.68 -34.25 75.35 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.543 -0.723 . . . . 0.0 111.54 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.1 -37.96 84.81 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.957 0.903 . . . . 0.0 111.711 174.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.2 -43.19 92.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.177 0.591 . . . . 0.0 111.677 172.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -43.43 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.27 -0.894 . . . . 0.0 110.798 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.71 -39.43 91.47 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.619 0.767 . . . . 0.0 112.375 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -61.87 -46.53 89.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.834 0.854 . . . . 0.0 112.421 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.34 -43.19 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.437 -0.79 . . . . 0.0 110.438 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.39 -17.73 64.29 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.43 -39.08 9.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.571 1.148 . . . . 0.0 113.639 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.3 mtp -110.9 -20.95 12.27 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -172.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 125.126 1.37 . . . . 0.0 111.825 -169.725 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.0 p80 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 120.978 0.418 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.52 142.93 54.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.217 1.007 . . . . 0.0 111.284 169.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -89.3 -6.5 56.68 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.851 1.261 . . . . 0.0 113.192 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -124.26 -30.36 3.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.594 1.158 . . . . 0.0 113.781 -170.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.3 p -132.91 8.16 4.08 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.978 1.311 . . . . 0.0 114.502 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 57.99 15.62 3.26 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.971 2.509 . . . . 0.0 117.2 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -67.62 147.5 52.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.401 1.08 . . . . 0.0 111.941 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -86.2 140.31 30.27 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.782 1.633 . . . . 0.0 111.991 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -139.38 117.55 11.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.533 1.533 . . . . 0.0 111.324 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 m -71.49 -16.83 62.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -126.51 131.25 51.65 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 111.668 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.85 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.039 0.936 . . . . 0.0 112.958 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -72.02 -33.24 67.89 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.766 -0.584 . . . . 0.0 111.714 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -68.19 -35.95 78.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.534 0.734 . . . . 0.0 112.301 171.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.47 -52.06 67.2 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.158 0.89 . . . . 0.0 109.825 168.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.31 -38.64 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.669 -0.644 . . . . 0.0 110.457 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -56.52 -45.38 81.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.976 1.31 . . . . 0.0 112.29 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.04 -45.95 91.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.742 0.701 . . . . 0.0 112.058 174.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.77 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.756 . . . . 0.0 111.112 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.43 -30.26 70.57 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.173 0.989 . . . . 0.0 113.569 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -85.71 -33.16 21.57 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -111.95 -25.05 9.6 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 115.486 1.662 . . . . 0.0 115.486 -167.621 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 p -78.03 -20.42 52.46 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -150.86 157.1 42.5 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.67 1.588 . . . . 0.0 111.47 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.97 169.49 37.6 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.983 1.277 . . . . 0.0 113.448 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -80.41 40.0 0.48 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.57 1.548 . . . . 0.0 113.782 -175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 m -74.57 147.15 41.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.996 1.318 . . . . 0.0 112.791 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.57 12.21 80.37 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.217 1.247 . . . . 0.0 116.217 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 pt -75.62 -15.93 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 118.86 1.33 . . . . 0.0 114.348 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -73.51 149.67 42.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.578 1.151 . . . . 0.0 112.278 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -128.52 161.35 29.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.591 1.557 . . . . 0.0 112.268 -169.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -129.35 148.62 51.29 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.505 1.122 . . . . 0.0 112.885 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.28 127.48 32.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.629 1.172 . . . . 0.0 110.664 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -80.02 -8.18 59.22 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.567 0.747 . . . . 0.0 112.995 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -101.58 -48.2 4.4 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.803 1.241 . . . . 0.0 112.503 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -120.46 5.1 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -175.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 62.43 15.73 8.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.745 2.018 . . . . 0.0 115.432 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.77 168.35 16.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.24 169.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.61 147.36 52.28 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.055 1.342 . . . . 0.0 112.863 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -138.23 148.95 45.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.177 1.791 . . . . 0.0 110.899 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -77.96 -4.62 47.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -153.09 163.26 40.18 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.446 1.898 . . . . 0.0 111.445 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 p -75.21 -28.48 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -73.53 -41.94 62.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.093 -1.004 . . . . 0.0 111.6 -171.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -66.49 -32.16 73.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.492 0.717 . . . . 0.0 112.237 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.41 -42.6 87.58 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.681 0.673 . . . . 0.0 112.202 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.77 -41.95 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 120.982 -1.074 . . . . 0.0 110.789 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.24 -43.13 99.38 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.614 -0.679 . . . . 0.0 112.078 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -58.67 -46.18 87.76 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.609 0.763 . . . . 0.0 112.285 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -48.67 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.569 0.747 . . . . 0.0 110.445 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -65.19 -30.52 71.43 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.05 -39.51 25.65 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 40.2 mtp -107.56 -21.91 12.72 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -170.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -129.41 -40.68 1.42 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -169.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 39.28 72.84 0.89 Allowed Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 128.049 2.539 . . . . 0.0 114.505 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -77.7 61.54 7.55 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 124.336 3.357 . . . . 0.0 112.048 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -9.78 59.56 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -171.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.576 1.951 . . . . 0.0 112.624 178.965 . . . . . . . . 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 1.478 1.444 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -76.35 162.67 27.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.93 1.292 . . . . 0.0 113.095 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -146.67 153.21 40.03 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.039 1.335 . . . . 0.0 111.74 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.03 168.43 29.47 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.11 1.338 . . . . 0.0 114.378 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -133.69 -16.1 2.34 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -175.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p -86.94 -9.81 54.75 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.335 1.454 . . . . 0.0 114.369 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 -158.68 26.43 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.427 1.489 . . . . 0.0 112.598 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.0 tt -136.04 145.61 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.509 1.524 . . . . 0.0 111.192 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -146.85 155.88 42.68 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.702 1.601 . . . . 0.0 112.36 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -139.0 159.69 41.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.135 2.174 . . . . 0.0 109.202 172.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -136.7 153.1 50.98 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.12 155.36 28.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.721 1.609 . . . . 0.0 112.28 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -107.47 -4.26 18.64 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.003 1.721 . . . . 0.0 113.172 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.25 -30.46 5.6 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.065 1.346 . . . . 0.0 113.086 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -133.03 1.64 3.56 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.07 15.77 3.41 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.431 2.292 . . . . 0.0 116.551 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -67.48 150.55 48.73 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.677 1.191 . . . . 0.0 111.965 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -97.74 142.86 29.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.714 1.606 . . . . 0.0 112.384 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -134.16 152.34 51.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.552 1.941 . . . . 0.0 111.007 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -86.21 -6.78 58.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -147.85 141.58 25.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.389 1.476 . . . . 0.0 112.019 -173.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.54 -35.55 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.3 -37.39 66.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.148 0.886 . . . . 0.0 111.049 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -63.89 -37.23 86.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.395 1.078 . . . . 0.0 111.89 169.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.84 -42.47 90.46 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.753 0.706 . . . . 0.0 112.344 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.67 -38.88 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 121.155 -0.965 . . . . 0.0 110.556 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.47 -45.01 96.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.758 0.823 . . . . 0.0 111.876 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -56.7 -49.09 76.18 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.557 0.743 . . . . 0.0 111.652 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.05 -49.68 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.616 0.766 . . . . 0.0 110.927 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -74.7 -19.75 60.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -87.77 -36.35 17.36 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.98 -28.97 12.45 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -127.61 -33.02 2.34 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.173 0.989 . . . . 0.0 113.546 -169.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 44.99 60.2 13.3 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.766 2.427 . . . . 0.0 115.302 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -66.66 157.0 63.14 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.405 2.736 . . . . 0.0 112.0 173.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -79.39 42.26 0.5 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.903 1.681 . . . . 0.0 113.188 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.517 1.927 . . . . 0.0 112.942 178.991 . . . . . . . . 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 1.479 1.562 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -71.95 152.95 42.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.647 1.179 . . . . 0.0 113.155 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -120.92 13.58 11.43 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.171 1.389 . . . . 0.0 114.218 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.47 155.02 52.96 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.393 0.997 . . . . 0.0 114.038 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -68.11 136.34 53.57 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.536 1.134 . . . . 0.0 112.893 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -71.94 -17.01 62.11 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -171.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.04 75.86 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-O 119.202 -0.776 . . . . 0.0 114.464 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.27 0.5 OUTLIER 58.82 -41.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 130.307 3.443 . . . . 0.0 117.399 174.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -84.99 157.31 20.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.788 1.635 . . . . 0.0 113.344 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -86.77 157.03 19.69 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.052 1.341 . . . . 0.0 110.458 173.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -138.33 153.58 48.98 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -66.75 153.96 41.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.871 1.668 . . . . 0.0 111.904 171.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -105.45 -9.03 17.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.596 1.559 . . . . 0.0 113.727 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -107.96 -30.92 8.2 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.829 1.252 . . . . 0.0 113.15 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -135.92 1.07 2.72 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.3 1.44 . . . . 0.0 114.645 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.43 17.59 6.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.174 2.19 . . . . 0.0 116.825 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.6 157.13 24.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.169 0.895 . . . . 0.0 111.51 168.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.35 144.22 40.9 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.916 1.687 . . . . 0.0 112.14 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.3 141.35 37.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.58 1.552 . . . . 0.0 111.638 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -67.89 -15.14 63.48 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -173.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.56 163.05 39.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.864 1.665 . . . . 0.0 111.977 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.75 -28.53 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.772 0.829 . . . . 0.0 113.123 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.97 -40.49 62.96 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.516 -0.74 . . . . 0.0 111.317 -173.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -66.51 -34.72 78.55 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.761 0.824 . . . . 0.0 112.084 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.06 -47.03 81.74 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.663 0.665 . . . . 0.0 111.91 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.01 -41.43 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.32 -0.863 . . . . 0.0 110.753 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.03 -44.23 97.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.446 0.698 . . . . 0.0 111.893 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -57.55 -47.09 82.98 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.759 0.823 . . . . 0.0 112.254 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.83 -47.59 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.144 0.577 . . . . 0.0 110.143 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.26 -30.06 70.9 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.104 0.962 . . . . 0.0 113.342 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.42 -40.2 30.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mtp -112.22 -18.89 12.43 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -168.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -129.65 -41.83 1.32 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.503 1.047 . . . . 0.0 113.632 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t0 40.8 60.3 7.67 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 127.867 2.467 . . . . 0.0 114.734 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.05 132.57 30.43 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.448 2.765 . . . . 0.0 112.238 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -95.42 -13.51 24.57 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.186 0 C-N-CA 126.413 1.885 . . . . 0.0 112.437 178.192 . . . . . . . . 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 1.479 1.559 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -77.29 157.04 30.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.725 1.21 . . . . 0.0 113.311 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -83.61 163.33 20.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.212 1.405 . . . . 0.0 113.212 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.96 168.04 41.19 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.89 1.233 . . . . 0.0 113.094 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -71.81 -36.74 70.36 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.641 0.776 . . . . 0.0 113.051 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -151.87 150.48 30.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.022 1.329 . . . . 0.0 112.168 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.16 -7.86 82.65 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.337 0.97 . . . . 0.0 115.408 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.6 pp -91.66 1.32 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -69.89 151.77 45.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.493 1.117 . . . . 0.0 112.714 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -130.12 166.92 19.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.712 1.605 . . . . 0.0 111.996 -169.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -136.95 152.71 50.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.719 0.808 . . . . 0.0 112.944 169.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.13 135.31 54.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.087 1.355 . . . . 0.0 112.665 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -70.4 -28.94 65.47 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.285 1.034 . . . . 0.0 112.062 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -100.12 -33.43 10.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 113.679 -169.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.4 6.65 3.83 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.65 13.42 3.4 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.36 2.264 . . . . 0.0 116.683 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -68.03 148.9 50.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.289 1.036 . . . . 0.0 111.507 172.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -93.54 144.64 25.17 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.701 1.6 . . . . 0.0 112.439 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -138.7 135.25 34.58 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.774 1.63 . . . . 0.0 112.045 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -10.76 59.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.2 141.59 25.27 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.819 1.248 . . . . 0.0 111.349 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.36 -33.8 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.35 -34.6 68.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.152 0.887 . . . . 0.0 111.235 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -66.27 -38.79 88.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.855 0.862 . . . . 0.0 111.083 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.25 -42.37 96.54 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.537 -0.727 . . . . 0.0 112.339 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.93 -42.29 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.014 -1.054 . . . . 0.0 110.687 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.94 -43.06 99.21 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.482 0.713 . . . . 0.0 112.254 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.26 -46.62 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.831 0.742 . . . . 0.0 112.002 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.03 -48.41 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.653 -0.655 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -68.59 -25.11 64.71 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -86.28 -34.5 20.35 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -108.68 -25.52 10.81 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -171.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -128.05 -38.49 1.81 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.2 t0 41.82 61.27 8.38 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 127.941 2.496 . . . . 0.0 114.928 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -64.75 140.42 67.53 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.43 2.753 . . . . 0.0 112.208 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -133.12 0.68 3.45 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -174.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.14 1.776 . . . . 0.0 112.633 -178.283 . . . . . . . . 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 1.48 1.584 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p -95.19 7.15 47.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.812 1.645 . . . . 0.0 114.78 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -125.77 176.34 6.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.66 1.984 . . . . 0.0 112.393 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.21 -102.35 0.78 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.249 0.928 . . . . 0.0 112.462 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 m -69.02 -13.29 62.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.588 1.155 . . . . 0.0 113.59 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -119.88 167.55 12.01 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.358 1.863 . . . . 0.0 112.014 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.02 -172.04 55.17 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.031 1.301 . . . . 0.0 114.65 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.42 136.53 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.882 1.273 . . . . 0.0 111.813 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -107.09 148.94 28.17 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.398 1.479 . . . . 0.0 112.532 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -103.79 27.13 7.8 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.112 1.365 . . . . 0.0 112.206 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -105.95 144.46 32.63 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.824 1.65 . . . . 0.0 110.924 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.49 154.93 16.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.828 1.651 . . . . 0.0 113.956 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -84.03 -23.77 30.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.509 1.924 . . . . 0.0 112.66 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -119.93 -25.33 5.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -130.28 0.48 4.6 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 56.61 10.61 0.73 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.602 2.361 . . . . 0.0 116.425 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.72 149.83 48.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.474 1.11 . . . . 0.0 111.71 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -95.8 143.46 27.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.874 1.27 . . . . 0.0 112.565 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.87 157.57 37.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.648 1.579 . . . . 0.0 111.225 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -82.56 -11.64 58.29 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -150.16 142.86 24.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.758 1.623 . . . . 0.0 111.364 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.82 -33.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 113.204 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -74.35 -40.04 62.4 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.527 -0.733 . . . . 0.0 109.848 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -64.82 -36.58 84.78 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.21 1.404 . . . . 0.0 111.993 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.21 -42.1 93.82 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.063 0.847 . . . . 0.0 112.162 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.372 -0.83 . . . . 0.0 110.201 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -62.22 -38.41 89.09 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.303 -0.873 . . . . 0.0 112.613 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -58.5 -42.96 88.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.773 0.829 . . . . 0.0 111.648 169.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.33 -40.7 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.401 -0.812 . . . . 0.0 111.154 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -68.86 -23.91 64.29 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.93 -35.16 13.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.13 0.972 . . . . 0.0 113.456 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.01 -24.03 10.16 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -172.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -135.06 24.67 3.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -168.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.16 127.46 90.99 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.124 0.97 . . . . 0.0 112.666 -171.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.39 155.07 55.92 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.235 2.624 . . . . 0.0 113.147 -175.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -140.28 140.65 35.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.128 1.771 . . . . 0.0 109.885 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.783 2.033 . . . . 0.0 112.662 179.52 . . . . . . . . 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 1.689 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -149.61 149.77 31.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.045 1.338 . . . . 0.0 111.936 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -79.32 -9.62 59.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.789 1.236 . . . . 0.0 113.453 172.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.04 170.19 38.34 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.1 1.333 . . . . 0.0 114.166 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.2 p -106.22 -2.33 22.56 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.635 1.574 . . . . 0.0 114.934 -173.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 t -71.14 148.7 47.14 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.211 1.005 . . . . 0.0 113.241 -175.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.57 3.6 62.99 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.493 1.52 . . . . 0.0 116.034 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.5 pt -77.23 40.96 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 126.3 1.84 . . . . 0.0 114.011 -174.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -0.57 17.98 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -172.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -76.35 113.33 13.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.896 1.278 . . . . 0.0 109.128 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -134.2 148.64 50.92 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.238 1.015 . . . . 0.0 111.966 -172.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -66.89 134.58 52.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.4 1.08 . . . . 0.0 111.702 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.4 -22.1 52.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.117 0.967 . . . . 0.0 112.656 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -103.42 -34.52 8.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.56 1.144 . . . . 0.0 113.597 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -132.65 7.0 4.09 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 59.04 18.94 6.76 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 127.033 2.133 . . . . 0.0 116.103 169.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.5 161.03 30.33 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.712 1.205 . . . . 0.0 111.9 170.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -114.03 141.99 46.74 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.838 1.655 . . . . 0.0 112.212 -169.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -136.62 154.66 50.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.018 1.727 . . . . 0.0 111.683 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 m -87.66 -8.78 55.72 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -154.74 162.35 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.904 1.682 . . . . 0.0 111.742 -175.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.6 -27.89 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.34 -41.78 55.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.362 -0.836 . . . . 0.0 111.57 -171.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -66.53 -33.94 76.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.624 0.77 . . . . 0.0 112.276 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.87 -47.29 81.26 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.607 0.64 . . . . 0.0 111.761 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.31 -42.08 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.826 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.35 -42.64 96.13 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.722 0.809 . . . . 0.0 111.98 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -59.96 -46.91 87.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.74 0.816 . . . . 0.0 111.987 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.41 -45.09 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.576 -0.702 . . . . 0.0 110.7 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -30.24 71.25 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.151 0.98 . . . . 0.0 113.476 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -87.52 -33.83 18.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.826 1.046 . . . . 0.0 113.826 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.0 -25.43 9.39 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -131.49 5.1 4.34 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -168.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.95 121.07 59.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.19 0.996 . . . . 0.0 111.941 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.67 125.59 11.84 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.08 2.52 . . . . 0.0 112.074 -176.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -145.51 141.23 28.11 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.259 1.824 . . . . 0.0 109.689 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.579 1.552 . . . . 0.0 113.699 177.304 . . . . . . . . 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 1.48 1.622 0 N-CA-C 112.079 -0.408 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -66.71 146.24 54.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.521 1.128 . . . . 0.0 112.949 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -151.98 150.04 29.56 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.081 1.353 . . . . 0.0 111.738 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.43 156.42 10.33 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.966 1.27 . . . . 0.0 113.404 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m -93.67 -5.87 47.62 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -80.8 44.45 0.74 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.08 1.752 . . . . 0.0 114.261 -170.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.06 151.71 52.07 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.458 1.028 . . . . 0.0 113.496 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.12 148.31 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.825 1.65 . . . . 0.0 111.157 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.39 -20.08 3.73 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -171.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -75.07 121.18 21.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.983 1.313 . . . . 0.0 109.807 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -136.53 153.51 50.98 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.2 145.56 55.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.756 1.622 . . . . 0.0 111.978 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -12.84 35.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.901 1.681 . . . . 0.0 112.599 175.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -117.34 -29.34 5.88 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -135.73 6.72 3.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 57.67 15.59 2.97 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 127.757 2.423 . . . . 0.0 117.321 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -69.32 160.62 30.93 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.461 1.104 . . . . 0.0 111.632 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -114.33 148.53 37.43 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.289 1.436 . . . . 0.0 113.288 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -136.35 159.46 41.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.783 2.033 . . . . 0.0 111.131 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -79.97 -13.68 59.16 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -156.32 163.61 39.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.712 1.605 . . . . 0.0 112.021 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.28 -28.87 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -75.38 -43.56 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.17 -0.956 . . . . 0.0 111.239 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -66.53 -31.43 72.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.471 0.709 . . . . 0.0 112.313 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.46 -45.16 88.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.56 0.618 . . . . 0.0 112.016 170.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.5 -42.16 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.126 -0.984 . . . . 0.0 110.671 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.57 -43.1 93.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.838 0.744 . . . . 0.0 112.057 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -58.15 -48.89 78.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.733 0.697 . . . . 0.0 111.628 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.69 -46.23 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.284 0.634 . . . . 0.0 110.994 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -70.69 -30.51 67.1 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -82.48 -33.62 28.32 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.15 -27.2 11.73 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -129.1 -39.65 1.54 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -168.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.6 t0 42.24 66.34 4.21 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 126.934 2.094 . . . . 0.0 114.149 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.79 139.59 58.04 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.066 2.511 . . . . 0.0 111.493 175.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -144.06 139.85 29.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.012 1.725 . . . . 0.0 109.814 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.527 1.931 . . . . 0.0 112.679 179.682 . . . . . . . . 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 1.48 1.61 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -80.5 45.4 0.77 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.439 1.496 . . . . 0.0 113.744 -174.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -63.15 111.78 2.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.054 1.342 . . . . 0.0 111.571 -175.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.35 8.04 69.63 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.388 0.994 . . . . 0.0 115.144 -174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -130.75 2.03 4.43 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.492 1.517 . . . . 0.0 114.565 -175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -66.41 146.77 54.19 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.715 1.206 . . . . 0.0 112.876 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.4 167.68 16.93 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.06 1.314 . . . . 0.0 114.779 -176.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mm -86.42 88.82 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.691 1.196 . . . . 0.0 109.117 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.01 140.55 55.62 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.054 0.942 . . . . 0.0 113.536 -171.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -151.64 178.25 9.54 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.219 1.808 . . . . 0.0 111.498 -173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -133.92 153.11 51.98 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.554 1.141 . . . . 0.0 110.463 167.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.19 145.62 50.48 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.093 0.949 . . . . 0.0 111.392 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -102.1 2.47 37.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.046 1.739 . . . . 0.0 112.201 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -126.74 -29.42 2.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.545 1.538 . . . . 0.0 113.441 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -133.72 8.7 3.88 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 58.49 12.66 2.16 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.12 142.74 55.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.581 1.152 . . . . 0.0 111.677 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -77.54 139.87 39.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.427 1.091 . . . . 0.0 111.301 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.41 141.39 49.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.578 1.551 . . . . 0.0 112.582 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -70.26 -26.05 63.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.362 1.465 . . . . 0.0 114.197 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -153.04 147.37 25.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.833 1.253 . . . . 0.0 112.008 -175.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.54 -34.09 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -75.36 -37.67 60.49 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.601 1.091 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.38 -41.46 89.41 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 111.002 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.03 -41.45 90.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.438 -0.789 . . . . 0.0 112.766 173.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.71 -38.64 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.725 1.148 . . . . 0.0 110.824 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.438 0.695 . . . . 0.0 111.97 171.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.69 -46.43 89.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.937 0.789 . . . . 0.0 112.286 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.21 -48.4 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 110.307 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.19 -26.93 66.87 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -83.11 -39.26 21.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 mtp -108.76 -19.78 13.3 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -170.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -128.71 -41.27 1.5 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.331 0.969 . . . . 0.0 113.457 -171.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.2 t0 41.31 59.75 8.59 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 127.73 2.412 . . . . 0.0 114.008 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -64.77 128.55 21.21 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.016 3.144 . . . . 0.0 112.363 -170.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -150.08 11.49 0.73 Allowed 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -170.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.53 1.532 . . . . 0.0 113.554 -179.437 . . . . . . . . 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 1.618 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -67.96 152.58 45.31 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.656 1.183 . . . . 0.0 113.079 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -70.42 -15.69 62.86 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.57 167.86 40.97 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.843 1.687 . . . . 0.0 112.292 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -153.07 163.24 40.22 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.889 1.275 . . . . 0.0 112.815 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -133.72 150.2 51.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.054 1.742 . . . . 0.0 110.798 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.83 -46.41 53.22 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.461 0.553 . . . . 0.0 113.796 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.1 mm 59.98 -58.24 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 128.879 2.872 . . . . 0.0 115.219 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.7 157.49 33.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.59 1.556 . . . . 0.0 112.678 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -132.74 159.84 38.55 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.849 2.06 . . . . 0.0 110.099 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -136.41 153.22 51.15 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.2 136.17 53.18 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.867 1.667 . . . . 0.0 112.445 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -77.33 -19.3 56.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.292 1.437 . . . . 0.0 112.657 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -110.84 -29.82 7.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -136.83 8.96 3.05 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 59.02 14.49 3.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 169.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -66.83 156.25 36.11 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.641 1.177 . . . . 0.0 111.449 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -124.35 141.21 52.25 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.183 1.393 . . . . 0.0 112.147 -170.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.95 144.53 39.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.767 1.627 . . . . 0.0 111.473 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 m -84.02 2.59 38.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -146.42 138.08 24.69 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.934 1.694 . . . . 0.0 111.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -71.35 -32.98 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.55 -36.9 65.7 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.406 -0.809 . . . . 0.0 111.298 -175.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -63.06 -39.8 95.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.335 1.054 . . . . 0.0 111.89 169.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.74 -45.46 89.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.563 0.62 . . . . 0.0 111.843 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.79 -42.04 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 110.808 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.6 -42.73 98.23 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.487 -0.758 . . . . 0.0 111.997 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -56.12 -46.49 79.14 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.229 0.922 . . . . 0.0 111.488 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.91 -48.15 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.598 0.759 . . . . 0.0 110.294 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -63.89 -33.22 75.22 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.78 1.232 . . . . 0.0 113.45 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.9 -35.63 32.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.888 0.875 . . . . 0.0 113.204 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtp -112.03 -19.79 12.2 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -170.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -130.47 -36.09 1.48 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.234 0.925 . . . . 0.0 113.405 -172.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.2 t0 43.21 57.56 12.04 Favored Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 128.303 2.641 . . . . 0.0 115.138 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.41 158.03 48.66 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 124.209 3.273 . . . . 0.0 113.011 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -144.12 136.24 26.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.359 1.464 . . . . 0.0 110.35 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.499 2.32 . . . . 0.0 114.751 -179.937 . . . . . . . . 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 1.622 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -80.13 -23.39 41.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 m -81.58 131.19 35.26 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.51 1.124 . . . . 0.0 111.298 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.11 177.27 40.28 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.361 0.981 . . . . 0.0 113.847 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.259 91.3 p 49.45 31.62 4.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 126.884 2.073 . . . . 0.0 115.712 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -71.11 158.69 36.02 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.377 1.471 . . . . 0.0 113.38 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.59 -152.18 4.34 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.326 0.965 . . . . 0.0 112.501 169.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.5 pt -72.29 1.28 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.37 59.29 3.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.267 1.827 . . . . 0.0 112.889 -174.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -78.03 72.54 4.57 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.156 0.982 . . . . 0.0 110.392 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -136.24 153.91 51.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.624 1.169 . . . . 0.0 112.051 173.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.24 149.81 32.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.136 1.374 . . . . 0.0 111.687 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -109.51 5.55 23.31 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.149 1.779 . . . . 0.0 113.271 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -120.54 -32.13 4.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.481 1.512 . . . . 0.0 112.833 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -136.59 9.12 3.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 59.42 10.79 1.96 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 118.028 2.603 . . . . 0.0 118.028 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -70.63 148.95 47.53 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.386 1.074 . . . . 0.0 112.393 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -91.34 147.92 22.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.654 1.582 . . . . 0.0 112.648 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.19 154.06 51.74 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.167 1.787 . . . . 0.0 111.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 m -83.01 -11.68 57.91 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -152.55 145.44 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.244 1.417 . . . . 0.0 111.973 -172.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.03 -32.87 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -75.51 -36.82 60.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.25 0.932 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.18 -38.09 89.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.604 0.762 . . . . 0.0 111.848 170.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.17 -41.56 97.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.485 0.714 . . . . 0.0 112.487 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.402 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -64.16 -33.46 75.84 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.071 -1.018 . . . . 0.0 112.869 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -61.04 -43.04 99.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.311 0.959 . . . . 0.0 111.322 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.0 -41.32 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.473 -0.767 . . . . 0.0 110.832 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -61.46 -32.42 72.41 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.04 -35.11 16.54 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.63 -24.75 9.48 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -170.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -135.94 20.68 3.26 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.663 1.356 . . . . 0.0 114.663 -167.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -65.87 148.31 98.34 Favored Pre-proline 0 CA--C 1.55 0.978 0 O-C-N 121.085 -1.009 . . . . 0.0 113.324 -174.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -79.29 54.3 5.11 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 124.515 3.477 . . . . 0.0 112.628 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.273 18.9 pt20 45.23 51.86 9.0 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.974 2.11 . . . . 0.0 113.372 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.695 1.998 . . . . 0.0 113.603 -169.513 . . . . . . . . 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 1.478 1.486 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -64.43 146.47 54.45 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.555 1.142 . . . . 0.0 113.244 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -77.92 163.13 26.28 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.458 1.103 . . . . 0.0 113.843 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.3 -21.59 0.06 OUTLIER Glycine 0 CA--C 1.538 1.491 0 N-CA-C 115.487 0.955 . . . . 0.0 115.487 172.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -82.61 39.22 0.6 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.074 1.75 . . . . 0.0 114.847 -175.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 m 60.09 179.75 0.09 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.612 1.965 . . . . 0.0 114.994 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.49 -152.55 46.5 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.305 0.955 . . . . 0.0 113.009 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 pt -64.13 138.74 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 122.073 -0.663 . . . . 0.0 110.976 173.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -149.46 149.19 30.39 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -169.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -80.05 90.13 5.4 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.139 1.775 . . . . 0.0 110.834 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -132.23 147.9 52.43 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.263 1.425 . . . . 0.0 110.665 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.79 135.89 57.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.582 0.753 . . . . 0.0 111.725 170.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -73.26 -22.36 60.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.16 1.384 . . . . 0.0 112.695 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -114.49 -28.82 7.05 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.12 10.82 4.59 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.31 8.49 1.15 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.979 2.512 . . . . 0.0 117.657 169.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -66.27 142.67 57.6 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 111.871 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -73.59 148.19 43.16 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 111.394 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -132.68 152.96 51.56 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.1 p -89.0 -19.37 25.77 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.977 1.711 . . . . 0.0 115.284 -171.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.88 147.85 27.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.35 1.46 . . . . 0.0 109.981 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.56 -35.11 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.533 -0.73 . . . . 0.0 112.293 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -74.75 -33.79 62.4 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.635 -0.666 . . . . 0.0 111.309 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.0 -39.99 87.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.67 1.188 . . . . 0.0 111.093 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.41 -46.1 90.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.508 1.123 . . . . 0.0 112.194 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.35 -40.07 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.368 -0.833 . . . . 0.0 110.887 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -42.94 98.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.797 0.839 . . . . 0.0 111.948 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -58.79 -46.49 87.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.083 173.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.72 -43.89 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.271 0.629 . . . . 0.0 110.962 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.2 mtp-105 -69.98 -21.82 63.2 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -90.6 -40.7 11.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.311 1.044 . . . . 0.0 113.641 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtp -107.32 -20.64 13.21 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -135.28 36.15 2.99 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.137 1.375 . . . . 0.0 111.841 -170.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -60.09 137.5 91.15 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -169.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.54 145.32 41.95 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.503 2.802 . . . . 0.0 111.786 174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -143.23 140.98 30.94 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.699 1.6 . . . . 0.0 110.171 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.825 2.05 . . . . 0.0 112.71 179.869 . . . . . . . . 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 1.48 1.576 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -77.02 160.89 28.76 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.82 1.248 . . . . 0.0 113.234 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -148.99 146.98 28.05 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.058 1.343 . . . . 0.0 111.855 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.19 -2.47 90.45 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.832 1.206 . . . . 0.0 114.658 171.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 59.17 -175.77 0.09 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.002 1.721 . . . . 0.0 113.789 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -145.29 159.13 43.5 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.633 1.573 . . . . 0.0 112.096 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.32 -174.54 24.08 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.194 1.378 . . . . 0.0 114.395 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.345 1.8 pp 50.55 24.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 127.502 2.321 . . . . 0.0 116.016 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 159.57 18.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.09 1.356 . . . . 0.0 113.513 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -77.32 45.9 0.49 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.061 2.144 . . . . 0.0 113.524 -169.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -92.16 146.18 23.92 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.075 1.35 . . . . 0.0 112.485 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.24 124.95 25.19 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.566 0.746 . . . . 0.0 109.997 169.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -71.64 -19.87 62.04 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 111.644 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -104.33 -33.14 8.75 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.992 1.317 . . . . 0.0 114.014 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 p -133.63 11.17 4.05 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.88 14.77 5.45 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.983 2.513 . . . . 0.0 117.717 167.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -73.84 171.14 13.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.659 1.583 . . . . 0.0 111.459 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 137.81 48.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.161 1.384 . . . . 0.0 112.101 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -114.09 165.43 12.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.489 1.516 . . . . 0.0 113.537 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 p -72.88 -27.17 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.055 1.342 . . . . 0.0 114.143 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.64 153.69 32.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.893 1.677 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -57.81 -35.78 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.297 -0.877 . . . . 0.0 111.739 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -71.4 -12.08 61.22 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.361 -0.837 . . . . 0.0 112.894 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -95.82 -30.78 13.5 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.243 1.417 . . . . 0.0 111.866 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.49 -41.71 94.81 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.542 -0.724 . . . . 0.0 111.662 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.24 -34.86 69.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 120.965 -1.084 . . . . 0.0 111.852 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -64.42 -37.54 87.9 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.357 0.981 . . . . 0.0 112.028 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -64.07 -49.16 73.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.043 0.537 . . . . 0.0 111.564 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.58 -48.0 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.84 0.746 . . . . 0.0 110.991 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -67.77 -24.43 65.33 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.25 -36.1 12.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.386 1.074 . . . . 0.0 113.514 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.3 mmm -101.47 -25.75 13.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -172.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -128.43 -49.01 1.29 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -169.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 39.53 59.26 6.47 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 126.929 2.092 . . . . 0.0 113.832 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.55 138.27 53.83 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.613 2.875 . . . . 0.0 113.321 -169.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -152.74 -43.88 0.1 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.028 1.331 . . . . 0.0 112.189 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.201 1.801 . . . . 0.0 112.5 -179.91 . . . . . . . . 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 1.616 0 N-CA-C 111.963 -0.455 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 p -146.73 159.23 43.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.261 1.424 . . . . 0.0 112.497 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m 61.82 -31.92 0.08 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 128.74 2.816 . . . . 0.0 117.918 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.87 179.21 32.14 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.151 1.358 . . . . 0.0 114.523 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -140.14 3.53 1.98 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -66.76 135.96 54.76 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.59 1.156 . . . . 0.0 113.072 -174.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.8 167.05 43.72 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.578 1.085 . . . . 0.0 114.212 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 tp -86.42 -8.92 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.317 1.447 . . . . 0.0 113.602 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -54.32 144.84 19.34 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.889 1.676 . . . . 0.0 112.623 -176.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -118.05 143.26 46.58 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.496 1.518 . . . . 0.0 112.005 -172.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -98.91 145.08 27.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.415 1.086 . . . . 0.0 111.021 169.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.63 136.62 57.97 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.745 0.783 . . . . 0.0 112.395 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -72.5 -11.52 60.7 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.923 1.289 . . . . 0.0 112.99 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.25 -28.92 3.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.917 1.287 . . . . 0.0 114.047 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -137.14 10.6 3.03 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 58.69 6.62 0.63 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -63.49 149.42 46.17 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.82 1.191 . . . . 0.0 112.208 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.94 137.55 32.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.023 1.329 . . . . 0.0 113.037 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -135.76 149.29 49.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.459 1.904 . . . . 0.0 111.757 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 p -74.41 -23.49 58.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -173.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -151.91 154.7 36.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.057 1.743 . . . . 0.0 110.382 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -57.8 -36.29 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.594 -0.691 . . . . 0.0 112.737 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.58 -30.82 64.73 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.891 1.223 . . . . 0.0 112.176 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -67.12 -34.86 78.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.669 0.788 . . . . 0.0 110.874 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp -69.4 -38.94 78.18 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.579 169.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.99 -42.96 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 120.233 1.379 . . . . 0.0 110.062 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -60.19 -45.15 94.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.817 0.847 . . . . 0.0 112.116 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -59.28 -46.35 88.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.714 0.688 . . . . 0.0 112.389 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.1 -48.09 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.458 0.703 . . . . 0.0 110.455 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.86 -28.58 69.07 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -83.21 -38.4 22.32 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.3 mtp -112.09 -17.83 12.73 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -169.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -128.5 -44.11 1.39 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.659 1.118 . . . . 0.0 113.782 -173.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.8 t70 39.45 70.97 1.25 Allowed Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 127.83 2.452 . . . . 0.0 114.387 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -62.92 140.87 81.82 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.971 2.447 . . . . 0.0 112.024 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -142.61 144.95 33.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.219 1.808 . . . . 0.0 109.668 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.672 1.989 . . . . 0.0 112.675 178.0 . . . . . . . . 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 1.48 1.633 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -67.94 152.32 45.73 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.575 1.15 . . . . 0.0 113.18 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.6 p -147.8 177.8 9.02 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.379 1.471 . . . . 0.0 111.779 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.11 -26.2 58.16 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.274 -0.891 . . . . 0.0 114.174 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -64.76 -13.47 55.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.531 1.532 . . . . 0.0 114.019 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -75.2 2.56 10.63 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.731 1.212 . . . . 0.0 113.789 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.25 49.67 3.66 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.708 1.147 . . . . 0.0 113.125 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.5 tt -64.9 -24.06 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.482 1.113 . . . . 0.0 113.806 -176.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -126.29 155.18 42.36 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.562 1.945 . . . . 0.0 110.621 171.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.43 120.1 20.41 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.481 0.712 . . . . 0.0 111.031 -172.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -141.27 153.35 45.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.729 0.811 . . . . 0.0 112.673 170.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.26 148.36 41.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.012 1.325 . . . . 0.0 111.668 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -88.43 -23.59 23.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 112.433 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -110.64 -28.51 8.44 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p -132.31 6.42 4.16 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp 59.07 12.79 2.58 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.19 2.596 . . . . 0.0 117.569 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -67.68 148.97 50.61 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.423 1.089 . . . . 0.0 112.141 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -91.6 148.69 22.09 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.907 1.683 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -135.28 152.38 51.45 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.8 p -78.04 -23.38 48.19 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.229 1.411 . . . . 0.0 114.547 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -154.03 153.16 31.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.403 1.481 . . . . 0.0 110.953 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.01 -33.31 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 121.484 -0.76 . . . . 0.0 112.551 178.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -71.42 -34.6 70.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.779 -0.576 . . . . 0.0 111.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.0 -37.74 78.87 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.847 0.859 . . . . 0.0 111.717 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.75 -48.3 79.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.278 0.631 . . . . 0.0 111.971 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.1 mt -65.05 -40.97 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.865 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -58.4 -42.83 88.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.621 1.168 . . . . 0.0 112.191 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -61.2 -47.87 84.13 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.438 0.695 . . . . 0.0 112.324 173.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.09 -42.59 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.644 -0.66 . . . . 0.0 110.947 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -69.58 -21.24 63.62 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -90.02 -38.48 13.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.043 0.937 . . . . 0.0 113.439 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.0 mtp -112.39 -20.2 11.89 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -136.68 25.58 3.1 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.446 1.099 . . . . 0.0 113.501 -169.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -61.32 133.18 92.91 Favored Pre-proline 0 CA--C 1.551 0.995 0 O-C-N 120.932 -1.105 . . . . 0.0 113.061 -174.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -61.73 136.05 59.98 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.117 2.545 . . . . 0.0 113.321 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -144.87 141.26 28.95 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.141 1.776 . . . . 0.0 109.744 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.561 1.944 . . . . 0.0 112.751 178.886 . . . . . . . . 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 1.481 1.67 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -135.58 148.58 49.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.056 1.342 . . . . 0.0 111.84 -170.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -139.76 146.95 40.15 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.149 0.98 . . . . 0.0 113.241 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.38 -178.59 34.45 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.094 0.854 . . . . 0.0 113.907 -174.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -69.49 -27.41 65.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -86.97 -17.84 32.13 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.352 1.461 . . . . 0.0 113.714 174.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.68 -5.65 60.64 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.41 1.481 . . . . 0.0 114.976 -171.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.5 mt -79.5 139.1 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 125.232 1.413 . . . . 0.0 112.145 -169.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.72 144.68 28.37 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.296 1.438 . . . . 0.0 111.939 171.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -97.75 158.24 15.62 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.717 2.007 . . . . 0.0 110.147 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -144.34 153.29 41.83 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.0 147.46 53.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.053 1.341 . . . . 0.0 111.056 169.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -96.72 -15.22 21.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.975 1.31 . . . . 0.0 113.371 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -102.03 -36.76 8.47 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.787 1.235 . . . . 0.0 112.751 -174.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -130.91 6.52 4.65 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.29 1.436 . . . . 0.0 114.668 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 58.59 17.16 4.78 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.614 2.366 . . . . 0.0 117.178 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -68.84 160.33 30.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.676 1.191 . . . . 0.0 111.957 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -115.91 145.48 42.86 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.727 1.611 . . . . 0.0 112.722 -171.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -139.46 145.96 39.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.932 1.693 . . . . 0.0 112.432 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -81.21 -13.0 59.01 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.199 1.0 . . . . 0.0 113.595 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -148.23 142.17 25.84 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.838 1.255 . . . . 0.0 112.277 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.07 -31.95 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -74.74 -36.6 62.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.135 0.88 . . . . 0.0 110.333 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.62 -37.41 87.24 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.504 0.722 . . . . 0.0 112.401 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.97 -46.27 89.98 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.787 0.721 . . . . 0.0 111.56 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.46 -44.25 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.238 -0.914 . . . . 0.0 110.831 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -59.19 -41.15 87.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.551 1.14 . . . . 0.0 112.436 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -60.57 -43.42 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.303 0.641 . . . . 0.0 111.868 171.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.46 -40.33 88.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.541 -0.724 . . . . 0.0 110.966 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -62.59 -34.86 77.84 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.921 1.237 . . . . 0.0 112.981 173.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.77 -35.86 22.12 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -112.25 -24.41 9.84 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -171.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -138.31 39.07 2.28 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.79 1.236 . . . . 0.0 112.288 -168.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.7 133.9 78.31 Favored Pre-proline 0 CA--C 1.552 1.038 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 -169.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.75 144.11 27.52 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.2 2.6 . . . . 0.0 111.91 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -142.95 136.48 28.57 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.832 1.653 . . . . 0.0 109.837 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.454 1.901 . . . . 0.0 113.202 -179.613 . . . . . . . . 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 1.479 1.554 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p -64.48 146.75 54.07 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.251 1.02 . . . . 0.0 113.109 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m 58.16 8.29 0.77 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 -172.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.29 -169.16 36.88 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.752 1.168 . . . . 0.0 114.953 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 m 52.85 34.29 16.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.77 1.628 . . . . 0.0 114.669 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -65.65 133.4 51.04 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.085 -1.009 . . . . 0.0 111.469 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.27 13.12 70.1 Favored Glycine 0 CA--C 1.541 1.676 0 N-CA-C 115.176 0.83 . . . . 0.0 115.176 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -118.02 144.81 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.547 1.939 . . . . 0.0 109.978 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -150.87 -55.33 0.15 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.024 0.929 . . . . 0.0 112.731 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -75.12 136.96 41.08 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.237 0.615 . . . . 0.0 110.718 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -145.68 149.14 33.92 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.489 0.716 . . . . 0.0 112.187 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.08 141.62 58.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.717 1.207 . . . . 0.0 113.846 -169.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.89 -16.4 58.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.275 1.43 . . . . 0.0 112.925 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -117.71 -32.26 4.9 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.566 1.146 . . . . 0.0 113.845 -169.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.4 p -134.47 3.62 3.34 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 57.3 18.34 4.25 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.261 2.224 . . . . 0.0 116.641 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.9 150.7 36.76 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.269 -0.894 . . . . 0.0 111.642 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -104.96 140.52 38.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.376 1.87 . . . . 0.0 113.172 -170.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -139.41 153.4 47.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.753 1.621 . . . . 0.0 112.963 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.2 p -88.45 -17.04 31.25 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 114.204 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -148.71 147.13 28.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.245 1.418 . . . . 0.0 111.56 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.18 -34.69 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.19 -35.25 71.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 111.468 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -64.53 -38.97 92.87 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.927 0.891 . . . . 0.0 111.193 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.14 -41.65 81.32 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 173.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.25 -41.88 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.743 1.156 . . . . 0.0 110.744 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -61.52 -38.32 86.95 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.467 0.707 . . . . 0.0 112.421 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -49.6 73.18 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.703 0.683 . . . . 0.0 112.077 171.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.94 -44.19 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.757 0.823 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.62 -6.19 52.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -99.15 -33.34 10.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.0 mmm -112.13 -25.13 9.49 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -171.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -137.64 17.39 2.89 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.803 1.241 . . . . 0.0 113.976 -168.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.34 129.38 88.89 Favored Pre-proline 0 CA--C 1.552 1.047 0 O-C-N 121.042 -1.036 . . . . 0.0 112.707 -169.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -60.11 143.45 99.54 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 123.17 2.58 . . . . 0.0 114.777 -175.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -88.81 -12.01 43.2 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.483 1.113 . . . . 0.0 113.761 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.428 1.891 . . . . 0.0 112.507 -179.173 . . . . . . . . 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 1.479 1.553 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 m -66.74 136.63 55.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.239 1.016 . . . . 0.0 112.646 -177.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -68.11 -22.24 64.9 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 -7.06 86.92 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.725 1.155 . . . . 0.0 115.03 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -107.87 143.88 35.87 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.226 1.41 . . . . 0.0 112.567 -175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -83.12 -23.97 32.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.298 1.039 . . . . 0.0 113.751 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.25 -2.26 71.84 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.994 1.283 . . . . 0.0 114.697 -171.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mt -89.09 47.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.039 1.419 . . . . 0.0 110.51 -176.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -68.26 153.55 43.52 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.262 1.425 . . . . 0.0 113.135 -176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -128.54 137.08 51.57 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.482 1.913 . . . . 0.0 110.042 -172.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -117.35 142.25 47.33 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.064 0.946 . . . . 0.0 112.279 -173.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.28 142.56 55.53 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.516 1.526 . . . . 0.0 111.996 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -86.14 -23.28 26.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.783 1.233 . . . . 0.0 112.426 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -103.14 -34.3 8.9 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.682 1.193 . . . . 0.0 113.212 -169.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -133.31 4.7 3.73 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.64 12.14 3.49 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.322 2.249 . . . . 0.0 116.262 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -65.94 164.15 15.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.676 1.19 . . . . 0.0 111.331 169.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -132.75 142.56 49.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 113.276 -166.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -136.19 148.77 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.186 1.795 . . . . 0.0 111.237 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -80.45 -2.13 44.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.51 144.83 25.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.058 1.743 . . . . 0.0 111.374 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.61 -30.73 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -37.8 80.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.652 1.114 . . . . 0.0 110.54 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -62.64 -42.1 99.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.501 1.12 . . . . 0.0 111.959 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -64.68 -42.29 95.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.79 0.723 . . . . 0.0 112.144 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.72 -44.03 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.139 -0.976 . . . . 0.0 110.244 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -64.89 -36.15 83.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.261 0.937 . . . . 0.0 112.597 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -59.38 -43.95 92.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.044 0.838 . . . . 0.0 111.395 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -63.38 -43.12 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.696 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -60.91 -34.78 75.2 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.373 0.988 . . . . 0.0 113.447 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.21 -34.56 22.01 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.37 -26.57 8.67 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -133.26 3.75 3.67 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -65.04 133.22 95.68 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 124.149 0.98 . . . . 0.0 112.427 -173.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.87 142.96 48.87 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.019 2.479 . . . . 0.0 113.077 -173.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -80.78 -17.59 50.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.825 1.25 . . . . 0.0 113.843 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.254 1.338 0 C-N-CA 127.416 2.287 . . . . 0.0 114.695 -178.26 . . . . . . . . 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 1.481 1.647 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -73.03 148.24 44.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.015 0.926 . . . . 0.0 112.749 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -80.71 -11.04 59.68 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.772 1.229 . . . . 0.0 113.358 172.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.42 146.03 40.01 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.425 1.012 . . . . 0.0 113.959 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -149.8 -59.79 0.2 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.113 1.365 . . . . 0.0 111.699 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.5 m -81.97 153.88 26.01 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.023 1.329 . . . . 0.0 112.399 173.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.77 -161.81 35.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 123.861 0.743 . . . . 0.0 114.17 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.1 pt -78.53 -12.96 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -87.53 174.78 8.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.948 1.699 . . . . 0.0 111.967 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.98 111.22 5.52 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.03 0.932 . . . . 0.0 111.151 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -142.47 153.7 43.89 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.444 1.098 . . . . 0.0 112.488 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.81 145.61 55.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.217 1.407 . . . . 0.0 111.377 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -93.46 -19.22 21.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.03 0.932 . . . . 0.0 113.312 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.38 -45.45 9.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.975 0.91 . . . . 0.0 112.043 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.11 2.99 9.88 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.126 1.37 . . . . 0.0 114.624 -176.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.9 11.62 3.38 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.3 150.01 48.75 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.172 -0.955 . . . . 0.0 112.042 172.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -97.0 147.96 23.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 112.292 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -136.19 161.42 35.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.232 1.813 . . . . 0.0 111.767 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -42.07 16.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 0.0 112.597 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.04 147.53 52.45 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.111 1.364 . . . . 0.0 112.151 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.51 -34.95 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.266 0.626 . . . . 0.0 112.413 -175.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -66.9 -38.44 86.25 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.826 -0.546 . . . . 0.0 111.847 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.54 -37.64 71.11 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.189 0.995 . . . . 0.0 111.342 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.92 -42.02 98.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.698 0.799 . . . . 0.0 112.261 171.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.53 -42.27 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.179 -0.95 . . . . 0.0 110.663 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.03 -37.39 84.71 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.154 0.888 . . . . 0.0 112.643 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -60.63 -48.94 79.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.623 170.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.93 -44.53 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.432 0.693 . . . . 0.0 110.902 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -72.21 -11.12 60.58 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -102.02 -33.61 9.65 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.449 1.099 . . . . 0.0 113.225 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.6 mmm -110.93 -25.41 9.84 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -138.34 20.97 2.76 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.658 1.183 . . . . 0.0 113.339 -168.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.86 127.8 92.1 Favored Pre-proline 0 CA--C 1.55 0.959 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -167.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -58.07 136.06 72.53 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.466 2.777 . . . . 0.0 112.903 176.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -158.84 149.62 20.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.434 1.494 . . . . 0.0 110.904 -171.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.317 0 C-N-CA 126.875 2.07 . . . . 0.0 112.659 179.996 . . . . . . . . 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 1.481 1.65 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -77.22 40.46 0.27 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.013 1.725 . . . . 0.0 112.674 172.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -75.26 152.23 38.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.97 2.108 . . . . 0.0 113.269 -169.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.56 -172.3 44.64 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.398 0.999 . . . . 0.0 113.55 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 p -83.45 3.8 30.49 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.505 1.522 . . . . 0.0 114.763 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -61.67 150.17 37.33 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.739 1.616 . . . . 0.0 114.185 -174.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.75 -156.24 51.69 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.441 1.02 . . . . 0.0 113.541 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 pt -129.28 -179.21 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.227 1.411 . . . . 0.0 111.409 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -76.86 -4.51 44.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -66.89 118.11 9.93 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.23 1.012 . . . . 0.0 111.513 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -138.87 153.49 48.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.473 1.509 . . . . 0.0 113.179 -176.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.18 136.45 55.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.549 1.54 . . . . 0.0 112.402 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -7.76 59.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.676 1.59 . . . . 0.0 112.878 176.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -124.79 -28.82 3.47 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -136.76 11.66 3.15 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 58.74 12.44 2.23 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 169.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -70.03 166.92 18.7 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.511 1.124 . . . . 0.0 112.281 171.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 157.33 45.22 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -134.82 162.39 32.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.526 1.131 . . . . 0.0 113.597 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.2 p -89.83 -14.86 33.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.674 1.59 . . . . 0.0 114.021 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -150.37 152.63 34.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.795 1.638 . . . . 0.0 109.891 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.74 -28.75 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.908 0.883 . . . . 0.0 113.054 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -68.68 -34.25 75.35 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.543 -0.723 . . . . 0.0 111.54 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.1 -37.96 84.81 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.957 0.903 . . . . 0.0 111.711 174.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.2 -43.19 92.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.177 0.591 . . . . 0.0 111.677 172.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -43.43 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.27 -0.894 . . . . 0.0 110.798 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.71 -39.43 91.47 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.619 0.767 . . . . 0.0 112.375 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -61.87 -46.53 89.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.834 0.854 . . . . 0.0 112.421 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.34 -43.19 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.437 -0.79 . . . . 0.0 110.438 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.39 -17.73 64.29 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.43 -39.08 9.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.571 1.148 . . . . 0.0 113.639 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.3 mtp -110.9 -20.95 12.27 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -172.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -136.65 33.6 2.71 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.126 1.37 . . . . 0.0 111.825 -169.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.83 136.46 93.16 Favored Pre-proline 0 CA--C 1.551 1.014 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -169.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.17 154.13 69.63 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.539 2.826 . . . . 0.0 114.19 176.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -78.23 -12.6 60.01 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.37 1.868 . . . . 0.0 112.669 -178.516 . . . . . . . . 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 1.606 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -73.6 155.71 38.81 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.7 1.2 . . . . 0.0 113.087 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t 56.81 -161.38 0.21 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.588 1.555 . . . . 0.0 113.772 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.14 17.89 66.07 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.968 1.271 . . . . 0.0 114.945 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 m -60.69 143.3 54.51 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.117 1.367 . . . . 0.0 112.899 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -75.55 -16.77 60.23 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -169.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 174.53 42.29 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.552 1.072 . . . . 0.0 113.699 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.6 pt -108.51 -1.19 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -173.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 158.53 30.89 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.596 1.158 . . . . 0.0 113.466 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -86.72 158.18 19.48 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.436 1.094 . . . . 0.0 110.361 169.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -136.99 153.65 50.62 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.409 0.684 . . . . 0.0 112.063 169.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.52 142.93 54.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.217 1.007 . . . . 0.0 111.284 169.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -89.3 -6.5 56.68 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.851 1.261 . . . . 0.0 113.192 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -124.26 -30.36 3.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.594 1.158 . . . . 0.0 113.781 -170.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.3 p -132.91 8.16 4.08 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.978 1.311 . . . . 0.0 114.502 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 57.99 15.62 3.26 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.971 2.509 . . . . 0.0 117.2 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -67.62 147.5 52.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.401 1.08 . . . . 0.0 111.941 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -86.2 140.31 30.27 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.782 1.633 . . . . 0.0 111.991 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -139.38 117.55 11.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.533 1.533 . . . . 0.0 111.324 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 m -71.49 -16.83 62.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -126.51 131.25 51.65 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 111.668 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.85 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.039 0.936 . . . . 0.0 112.958 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -72.02 -33.24 67.89 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.766 -0.584 . . . . 0.0 111.714 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -68.19 -35.95 78.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.534 0.734 . . . . 0.0 112.301 171.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.47 -52.06 67.2 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.158 0.89 . . . . 0.0 109.825 168.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.31 -38.64 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.669 -0.644 . . . . 0.0 110.457 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -56.52 -45.38 81.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.976 1.31 . . . . 0.0 112.29 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.04 -45.95 91.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.742 0.701 . . . . 0.0 112.058 174.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.77 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.756 . . . . 0.0 111.112 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.43 -30.26 70.57 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.173 0.989 . . . . 0.0 113.569 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -85.71 -33.16 21.57 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -111.95 -25.05 9.6 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -134.03 7.92 3.74 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.486 1.662 . . . . 0.0 115.486 -167.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.59 116.4 13.93 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 124.693 1.197 . . . . 0.0 111.946 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -83.06 62.1 7.55 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 124.041 3.161 . . . . 0.0 113.576 -168.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -152.4 148.0 26.94 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.961 1.704 . . . . 0.0 110.919 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.819 2.048 . . . . 0.0 112.608 179.778 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.28 127.48 32.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.629 1.172 . . . . 0.0 110.664 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -80.02 -8.18 59.22 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.567 0.747 . . . . 0.0 112.995 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -101.58 -48.2 4.4 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.803 1.241 . . . . 0.0 112.503 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -120.46 5.1 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -175.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 62.43 15.73 8.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.745 2.018 . . . . 0.0 115.432 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.77 168.35 16.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.24 169.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.61 147.36 52.28 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.055 1.342 . . . . 0.0 112.863 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -138.23 148.95 45.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.177 1.791 . . . . 0.0 110.899 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -77.96 -4.62 47.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -153.09 163.26 40.18 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.446 1.898 . . . . 0.0 111.445 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 p -75.21 -28.48 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -73.53 -41.94 62.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.093 -1.004 . . . . 0.0 111.6 -171.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -66.49 -32.16 73.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.492 0.717 . . . . 0.0 112.237 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.41 -42.6 87.58 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.681 0.673 . . . . 0.0 112.202 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.77 -41.95 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 120.982 -1.074 . . . . 0.0 110.789 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.24 -43.13 99.38 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.614 -0.679 . . . . 0.0 112.078 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -58.67 -46.18 87.76 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.609 0.763 . . . . 0.0 112.285 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -48.67 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.569 0.747 . . . . 0.0 110.445 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -65.19 -30.52 71.43 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.05 -39.51 25.65 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 40.2 mtp -107.56 -21.91 12.72 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -170.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -169.884 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.12 155.36 28.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.721 1.609 . . . . 0.0 112.28 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -107.47 -4.26 18.64 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.003 1.721 . . . . 0.0 113.172 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.25 -30.46 5.6 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.065 1.346 . . . . 0.0 113.086 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -133.03 1.64 3.56 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.07 15.77 3.41 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.431 2.292 . . . . 0.0 116.551 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -67.48 150.55 48.73 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.677 1.191 . . . . 0.0 111.965 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -97.74 142.86 29.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.714 1.606 . . . . 0.0 112.384 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -134.16 152.34 51.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.552 1.941 . . . . 0.0 111.007 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -86.21 -6.78 58.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -147.85 141.58 25.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.389 1.476 . . . . 0.0 112.019 -173.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.54 -35.55 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.3 -37.39 66.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.148 0.886 . . . . 0.0 111.049 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -63.89 -37.23 86.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.395 1.078 . . . . 0.0 111.89 169.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.84 -42.47 90.46 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.753 0.706 . . . . 0.0 112.344 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.67 -38.88 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 121.155 -0.965 . . . . 0.0 110.556 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.47 -45.01 96.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.758 0.823 . . . . 0.0 111.876 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -56.7 -49.09 76.18 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.557 0.743 . . . . 0.0 111.652 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.05 -49.68 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.616 0.766 . . . . 0.0 110.927 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -74.7 -19.75 60.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -87.77 -36.35 17.36 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.98 -28.97 12.45 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 . . . . . 0 N--CA 1.476 0.829 0 C-N-CA 124.173 0.989 . . . . 0.0 113.546 -169.073 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.7 p80 . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -66.75 153.96 41.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.871 1.668 . . . . 0.0 111.904 171.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -105.45 -9.03 17.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.596 1.559 . . . . 0.0 113.727 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -107.96 -30.92 8.2 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.829 1.252 . . . . 0.0 113.15 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -135.92 1.07 2.72 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.3 1.44 . . . . 0.0 114.645 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.43 17.59 6.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.174 2.19 . . . . 0.0 116.825 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.6 157.13 24.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.169 0.895 . . . . 0.0 111.51 168.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.35 144.22 40.9 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.916 1.687 . . . . 0.0 112.14 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.3 141.35 37.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.58 1.552 . . . . 0.0 111.638 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -67.89 -15.14 63.48 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -173.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.56 163.05 39.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.864 1.665 . . . . 0.0 111.977 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.75 -28.53 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.772 0.829 . . . . 0.0 113.123 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.97 -40.49 62.96 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.516 -0.74 . . . . 0.0 111.317 -173.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -66.51 -34.72 78.55 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.761 0.824 . . . . 0.0 112.084 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.06 -47.03 81.74 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.663 0.665 . . . . 0.0 111.91 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.01 -41.43 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.32 -0.863 . . . . 0.0 110.753 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.03 -44.23 97.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.446 0.698 . . . . 0.0 111.893 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -57.55 -47.09 82.98 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.759 0.823 . . . . 0.0 112.254 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.83 -47.59 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.144 0.577 . . . . 0.0 110.143 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.26 -30.06 70.9 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.104 0.962 . . . . 0.0 113.342 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.42 -40.2 30.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mtp -112.22 -18.89 12.43 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -168.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 N--CA 1.476 0.864 0 CA-C-N 119.503 1.047 . . . . 0.0 113.632 -171.65 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.13 135.31 54.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.087 1.355 . . . . 0.0 112.665 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -70.4 -28.94 65.47 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.285 1.034 . . . . 0.0 112.062 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -100.12 -33.43 10.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 113.679 -169.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.4 6.65 3.83 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.65 13.42 3.4 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.36 2.264 . . . . 0.0 116.683 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -68.03 148.9 50.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.289 1.036 . . . . 0.0 111.507 172.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -93.54 144.64 25.17 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.701 1.6 . . . . 0.0 112.439 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -138.7 135.25 34.58 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.774 1.63 . . . . 0.0 112.045 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -10.76 59.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.2 141.59 25.27 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.819 1.248 . . . . 0.0 111.349 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.36 -33.8 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.35 -34.6 68.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.152 0.887 . . . . 0.0 111.235 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -66.27 -38.79 88.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.855 0.862 . . . . 0.0 111.083 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.25 -42.37 96.54 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.537 -0.727 . . . . 0.0 112.339 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.93 -42.29 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.014 -1.054 . . . . 0.0 110.687 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.94 -43.06 99.21 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.482 0.713 . . . . 0.0 112.254 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.26 -46.62 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.831 0.742 . . . . 0.0 112.002 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.03 -48.41 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.653 -0.655 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -68.59 -25.11 64.71 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -86.28 -34.5 20.35 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -108.68 -25.52 10.81 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -171.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.671 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.3 m80 . . . . . 0 CA--C 1.538 0.503 0 CA-C-O 120.269 0.081 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.49 154.93 16.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.828 1.651 . . . . 0.0 113.956 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -84.03 -23.77 30.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.509 1.924 . . . . 0.0 112.66 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -119.93 -25.33 5.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -130.28 0.48 4.6 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 56.61 10.61 0.73 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.602 2.361 . . . . 0.0 116.425 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.72 149.83 48.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.474 1.11 . . . . 0.0 111.71 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -95.8 143.46 27.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.874 1.27 . . . . 0.0 112.565 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.87 157.57 37.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.648 1.579 . . . . 0.0 111.225 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -82.56 -11.64 58.29 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -150.16 142.86 24.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.758 1.623 . . . . 0.0 111.364 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.82 -33.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 113.204 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -74.35 -40.04 62.4 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.527 -0.733 . . . . 0.0 109.848 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -64.82 -36.58 84.78 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.21 1.404 . . . . 0.0 111.993 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.21 -42.1 93.82 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.063 0.847 . . . . 0.0 112.162 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.372 -0.83 . . . . 0.0 110.201 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -62.22 -38.41 89.09 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.303 -0.873 . . . . 0.0 112.613 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -58.5 -42.96 88.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.773 0.829 . . . . 0.0 111.648 169.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.33 -40.7 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.401 -0.812 . . . . 0.0 111.154 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -68.86 -23.91 64.29 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.93 -35.16 13.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.13 0.972 . . . . 0.0 113.456 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.01 -24.03 10.16 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -172.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -168.381 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -66.89 134.58 52.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.4 1.08 . . . . 0.0 111.702 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.4 -22.1 52.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.117 0.967 . . . . 0.0 112.656 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -103.42 -34.52 8.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.56 1.144 . . . . 0.0 113.597 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -132.65 7.0 4.09 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 59.04 18.94 6.76 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 127.033 2.133 . . . . 0.0 116.103 169.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.5 161.03 30.33 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.712 1.205 . . . . 0.0 111.9 170.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -114.03 141.99 46.74 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.838 1.655 . . . . 0.0 112.212 -169.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -136.62 154.66 50.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.018 1.727 . . . . 0.0 111.683 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 m -87.66 -8.78 55.72 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -154.74 162.35 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.904 1.682 . . . . 0.0 111.742 -175.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.6 -27.89 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.34 -41.78 55.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.362 -0.836 . . . . 0.0 111.57 -171.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -66.53 -33.94 76.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.624 0.77 . . . . 0.0 112.276 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.87 -47.29 81.26 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.607 0.64 . . . . 0.0 111.761 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.31 -42.08 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.826 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.35 -42.64 96.13 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.722 0.809 . . . . 0.0 111.98 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -59.96 -46.91 87.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.74 0.816 . . . . 0.0 111.987 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.41 -45.09 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.576 -0.702 . . . . 0.0 110.7 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -30.24 71.25 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.151 0.98 . . . . 0.0 113.476 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -87.52 -33.83 18.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.826 1.046 . . . . 0.0 113.826 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.0 -25.43 9.39 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -168.227 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.3 p80 . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.2 145.56 55.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.756 1.622 . . . . 0.0 111.978 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -12.84 35.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.901 1.681 . . . . 0.0 112.599 175.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -117.34 -29.34 5.88 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -135.73 6.72 3.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 57.67 15.59 2.97 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 127.757 2.423 . . . . 0.0 117.321 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -69.32 160.62 30.93 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.461 1.104 . . . . 0.0 111.632 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -114.33 148.53 37.43 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.289 1.436 . . . . 0.0 113.288 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -136.35 159.46 41.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.783 2.033 . . . . 0.0 111.131 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -79.97 -13.68 59.16 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -156.32 163.61 39.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.712 1.605 . . . . 0.0 112.021 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.28 -28.87 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -75.38 -43.56 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.17 -0.956 . . . . 0.0 111.239 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -66.53 -31.43 72.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.471 0.709 . . . . 0.0 112.313 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.46 -45.16 88.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.56 0.618 . . . . 0.0 112.016 170.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.5 -42.16 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.126 -0.984 . . . . 0.0 110.671 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.57 -43.1 93.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.838 0.744 . . . . 0.0 112.057 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -58.15 -48.89 78.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.733 0.697 . . . . 0.0 111.628 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.69 -46.23 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.284 0.634 . . . . 0.0 110.994 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -70.69 -30.51 67.1 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -82.48 -33.62 28.32 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.15 -27.2 11.73 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -168.637 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.6 p80 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 120.737 0.303 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.19 145.62 50.48 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.093 0.949 . . . . 0.0 111.392 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -102.1 2.47 37.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.046 1.739 . . . . 0.0 112.201 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -126.74 -29.42 2.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.545 1.538 . . . . 0.0 113.441 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -133.72 8.7 3.88 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 58.49 12.66 2.16 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.12 142.74 55.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.581 1.152 . . . . 0.0 111.677 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -77.54 139.87 39.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.427 1.091 . . . . 0.0 111.301 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.41 141.39 49.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.578 1.551 . . . . 0.0 112.582 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -70.26 -26.05 63.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.362 1.465 . . . . 0.0 114.197 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -153.04 147.37 25.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.833 1.253 . . . . 0.0 112.008 -175.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.54 -34.09 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -75.36 -37.67 60.49 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.601 1.091 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.38 -41.46 89.41 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 111.002 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.03 -41.45 90.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.438 -0.789 . . . . 0.0 112.766 173.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.71 -38.64 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.725 1.148 . . . . 0.0 110.824 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.438 0.695 . . . . 0.0 111.97 171.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.69 -46.43 89.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.937 0.789 . . . . 0.0 112.286 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.21 -48.4 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 110.307 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.19 -26.93 66.87 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -83.11 -39.26 21.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 mtp -108.76 -19.78 13.3 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -170.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 . . . . . 0 N--CA 1.475 0.781 0 CA-C-N 119.331 0.969 . . . . 0.0 113.457 -171.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.2 136.17 53.18 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.867 1.667 . . . . 0.0 112.445 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -77.33 -19.3 56.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.292 1.437 . . . . 0.0 112.657 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -110.84 -29.82 7.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -136.83 8.96 3.05 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 59.02 14.49 3.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 169.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -66.83 156.25 36.11 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.641 1.177 . . . . 0.0 111.449 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -124.35 141.21 52.25 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.183 1.393 . . . . 0.0 112.147 -170.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.95 144.53 39.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.767 1.627 . . . . 0.0 111.473 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 m -84.02 2.59 38.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -146.42 138.08 24.69 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.934 1.694 . . . . 0.0 111.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -71.35 -32.98 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.55 -36.9 65.7 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.406 -0.809 . . . . 0.0 111.298 -175.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -63.06 -39.8 95.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.335 1.054 . . . . 0.0 111.89 169.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.74 -45.46 89.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.563 0.62 . . . . 0.0 111.843 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.79 -42.04 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 110.808 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.6 -42.73 98.23 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.487 -0.758 . . . . 0.0 111.997 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -56.12 -46.49 79.14 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.229 0.922 . . . . 0.0 111.488 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.91 -48.15 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.598 0.759 . . . . 0.0 110.294 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -63.89 -33.22 75.22 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.78 1.232 . . . . 0.0 113.45 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.9 -35.63 32.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.888 0.875 . . . . 0.0 113.204 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtp -112.03 -19.79 12.2 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -170.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 . . . . . 0 N--CA 1.476 0.85 0 CA-C-N 119.234 0.925 . . . . 0.0 113.405 -172.806 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.532 0.682 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.24 149.81 32.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.136 1.374 . . . . 0.0 111.687 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -109.51 5.55 23.31 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.149 1.779 . . . . 0.0 113.271 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -120.54 -32.13 4.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.481 1.512 . . . . 0.0 112.833 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -136.59 9.12 3.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 59.42 10.79 1.96 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 118.028 2.603 . . . . 0.0 118.028 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -70.63 148.95 47.53 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.386 1.074 . . . . 0.0 112.393 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -91.34 147.92 22.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.654 1.582 . . . . 0.0 112.648 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.19 154.06 51.74 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.167 1.787 . . . . 0.0 111.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 m -83.01 -11.68 57.91 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -152.55 145.44 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.244 1.417 . . . . 0.0 111.973 -172.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.03 -32.87 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -75.51 -36.82 60.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.25 0.932 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.18 -38.09 89.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.604 0.762 . . . . 0.0 111.848 170.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.17 -41.56 97.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.485 0.714 . . . . 0.0 112.487 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.402 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -64.16 -33.46 75.84 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.071 -1.018 . . . . 0.0 112.869 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -61.04 -43.04 99.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.311 0.959 . . . . 0.0 111.322 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.0 -41.32 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.473 -0.767 . . . . 0.0 110.832 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -61.46 -32.42 72.41 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.04 -35.11 16.54 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.63 -24.75 9.48 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -170.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 114.663 1.356 . . . . 0.0 114.663 -167.55 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 120.4 0.143 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.79 135.89 57.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.582 0.753 . . . . 0.0 111.725 170.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -73.26 -22.36 60.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.16 1.384 . . . . 0.0 112.695 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -114.49 -28.82 7.05 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.12 10.82 4.59 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.31 8.49 1.15 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.979 2.512 . . . . 0.0 117.657 169.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -66.27 142.67 57.6 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 111.871 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -73.59 148.19 43.16 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 111.394 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -132.68 152.96 51.56 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.1 p -89.0 -19.37 25.77 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.977 1.711 . . . . 0.0 115.284 -171.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.88 147.85 27.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.35 1.46 . . . . 0.0 109.981 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.56 -35.11 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.533 -0.73 . . . . 0.0 112.293 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -74.75 -33.79 62.4 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.635 -0.666 . . . . 0.0 111.309 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.0 -39.99 87.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.67 1.188 . . . . 0.0 111.093 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.41 -46.1 90.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.508 1.123 . . . . 0.0 112.194 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.35 -40.07 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.368 -0.833 . . . . 0.0 110.887 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -42.94 98.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.797 0.839 . . . . 0.0 111.948 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -58.79 -46.49 87.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.083 173.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.72 -43.89 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.271 0.629 . . . . 0.0 110.962 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.2 mtp-105 -69.98 -21.82 63.2 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -90.6 -40.7 11.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.311 1.044 . . . . 0.0 113.641 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtp -107.32 -20.64 13.21 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 125.137 1.375 . . . . 0.0 111.841 -170.094 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.24 124.95 25.19 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.566 0.746 . . . . 0.0 109.997 169.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -71.64 -19.87 62.04 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 111.644 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -104.33 -33.14 8.75 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.992 1.317 . . . . 0.0 114.014 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 p -133.63 11.17 4.05 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.88 14.77 5.45 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.983 2.513 . . . . 0.0 117.717 167.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -73.84 171.14 13.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.659 1.583 . . . . 0.0 111.459 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 137.81 48.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.161 1.384 . . . . 0.0 112.101 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -114.09 165.43 12.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.489 1.516 . . . . 0.0 113.537 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 p -72.88 -27.17 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.055 1.342 . . . . 0.0 114.143 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.64 153.69 32.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.893 1.677 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -57.81 -35.78 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.297 -0.877 . . . . 0.0 111.739 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -71.4 -12.08 61.22 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.361 -0.837 . . . . 0.0 112.894 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -95.82 -30.78 13.5 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.243 1.417 . . . . 0.0 111.866 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.49 -41.71 94.81 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.542 -0.724 . . . . 0.0 111.662 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.24 -34.86 69.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 120.965 -1.084 . . . . 0.0 111.852 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -64.42 -37.54 87.9 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.357 0.981 . . . . 0.0 112.028 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -64.07 -49.16 73.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.043 0.537 . . . . 0.0 111.564 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.58 -48.0 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.84 0.746 . . . . 0.0 110.991 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -67.77 -24.43 65.33 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.25 -36.1 12.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.386 1.074 . . . . 0.0 113.514 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.3 mmm -101.47 -25.75 13.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -172.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -169.601 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 . . . . . 0 CA--C 1.539 0.535 0 CA-C-O 119.956 -0.068 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 25' ' ' LEU . 42.3 t -62.63 136.62 57.97 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.745 0.783 . . . . 0.0 112.395 176.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -72.5 -11.52 60.7 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.923 1.289 . . . . 0.0 112.99 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.25 -28.92 3.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.917 1.287 . . . . 0.0 114.047 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -137.14 10.6 3.03 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 58.69 6.62 0.63 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -63.49 149.42 46.17 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.82 1.191 . . . . 0.0 112.208 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.94 137.55 32.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.023 1.329 . . . . 0.0 113.037 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -135.76 149.29 49.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.459 1.904 . . . . 0.0 111.757 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 p -74.41 -23.49 58.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -173.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -151.91 154.7 36.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.057 1.743 . . . . 0.0 110.382 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -57.8 -36.29 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.594 -0.691 . . . . 0.0 112.737 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.58 -30.82 64.73 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.891 1.223 . . . . 0.0 112.176 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -67.12 -34.86 78.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.669 0.788 . . . . 0.0 110.874 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 12' ' ' CYS . 56.3 tp -69.4 -38.94 78.18 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.579 169.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.99 -42.96 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 120.233 1.379 . . . . 0.0 110.062 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -60.19 -45.15 94.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.817 0.847 . . . . 0.0 112.116 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -59.28 -46.35 88.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.714 0.688 . . . . 0.0 112.389 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.1 -48.09 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.458 0.703 . . . . 0.0 110.455 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.86 -28.58 69.07 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -83.21 -38.4 22.32 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.3 mtp -112.09 -17.83 12.73 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -169.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 . . . . . 0 N--CA 1.474 0.762 0 CA-C-N 119.659 1.118 . . . . 0.0 113.782 -173.68 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.26 148.36 41.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.012 1.325 . . . . 0.0 111.668 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -88.43 -23.59 23.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 112.433 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -110.64 -28.51 8.44 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p -132.31 6.42 4.16 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp 59.07 12.79 2.58 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.19 2.596 . . . . 0.0 117.569 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -67.68 148.97 50.61 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.423 1.089 . . . . 0.0 112.141 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -91.6 148.69 22.09 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.907 1.683 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -135.28 152.38 51.45 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.8 p -78.04 -23.38 48.19 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.229 1.411 . . . . 0.0 114.547 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -154.03 153.16 31.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.403 1.481 . . . . 0.0 110.953 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.01 -33.31 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 121.484 -0.76 . . . . 0.0 112.551 178.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -71.42 -34.6 70.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.779 -0.576 . . . . 0.0 111.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.0 -37.74 78.87 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.847 0.859 . . . . 0.0 111.717 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.75 -48.3 79.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.278 0.631 . . . . 0.0 111.971 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.1 mt -65.05 -40.97 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.865 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -58.4 -42.83 88.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.621 1.168 . . . . 0.0 112.191 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -61.2 -47.87 84.13 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.438 0.695 . . . . 0.0 112.324 173.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.09 -42.59 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.644 -0.66 . . . . 0.0 110.947 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -69.58 -21.24 63.62 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -90.02 -38.48 13.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.043 0.937 . . . . 0.0 113.439 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.0 mtp -112.39 -20.2 11.89 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 124.446 1.099 . . . . 0.0 113.501 -169.231 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 p80 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.0 147.46 53.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.053 1.341 . . . . 0.0 111.056 169.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -96.72 -15.22 21.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.975 1.31 . . . . 0.0 113.371 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -102.03 -36.76 8.47 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.787 1.235 . . . . 0.0 112.751 -174.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -130.91 6.52 4.65 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.29 1.436 . . . . 0.0 114.668 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 58.59 17.16 4.78 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.614 2.366 . . . . 0.0 117.178 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -68.84 160.33 30.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.676 1.191 . . . . 0.0 111.957 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -115.91 145.48 42.86 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.727 1.611 . . . . 0.0 112.722 -171.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -139.46 145.96 39.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.932 1.693 . . . . 0.0 112.432 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -81.21 -13.0 59.01 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.199 1.0 . . . . 0.0 113.595 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -148.23 142.17 25.84 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.838 1.255 . . . . 0.0 112.277 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.07 -31.95 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -74.74 -36.6 62.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.135 0.88 . . . . 0.0 110.333 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.62 -37.41 87.24 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.504 0.722 . . . . 0.0 112.401 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.97 -46.27 89.98 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.787 0.721 . . . . 0.0 111.56 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.46 -44.25 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.238 -0.914 . . . . 0.0 110.831 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -59.19 -41.15 87.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.551 1.14 . . . . 0.0 112.436 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -60.57 -43.42 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.303 0.641 . . . . 0.0 111.868 171.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.46 -40.33 88.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.541 -0.724 . . . . 0.0 110.966 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -62.59 -34.86 77.84 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.921 1.237 . . . . 0.0 112.981 173.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.77 -35.86 22.12 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -112.25 -24.41 9.84 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -171.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 . . . . . 0 CA--C 1.548 0.87 0 C-N-CA 124.79 1.236 . . . . 0.0 112.288 -168.732 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.08 141.62 58.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.717 1.207 . . . . 0.0 113.846 -169.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.89 -16.4 58.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.275 1.43 . . . . 0.0 112.925 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -117.71 -32.26 4.9 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.566 1.146 . . . . 0.0 113.845 -169.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.4 p -134.47 3.62 3.34 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 57.3 18.34 4.25 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.261 2.224 . . . . 0.0 116.641 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.9 150.7 36.76 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.269 -0.894 . . . . 0.0 111.642 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -104.96 140.52 38.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.376 1.87 . . . . 0.0 113.172 -170.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -139.41 153.4 47.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.753 1.621 . . . . 0.0 112.963 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.2 p -88.45 -17.04 31.25 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 114.204 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -148.71 147.13 28.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.245 1.418 . . . . 0.0 111.56 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.18 -34.69 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.19 -35.25 71.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 111.468 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -64.53 -38.97 92.87 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.927 0.891 . . . . 0.0 111.193 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.14 -41.65 81.32 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 173.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.25 -41.88 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.743 1.156 . . . . 0.0 110.744 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -61.52 -38.32 86.95 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.467 0.707 . . . . 0.0 112.421 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -49.6 73.18 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.703 0.683 . . . . 0.0 112.077 171.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.94 -44.19 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.757 0.823 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.62 -6.19 52.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -99.15 -33.34 10.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.0 mmm -112.13 -25.13 9.49 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -171.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 124.803 1.241 . . . . 0.0 113.976 -168.637 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m170 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.28 142.56 55.53 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.516 1.526 . . . . 0.0 111.996 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -86.14 -23.28 26.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.783 1.233 . . . . 0.0 112.426 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -103.14 -34.3 8.9 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.682 1.193 . . . . 0.0 113.212 -169.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -133.31 4.7 3.73 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.64 12.14 3.49 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.322 2.249 . . . . 0.0 116.262 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -65.94 164.15 15.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.676 1.19 . . . . 0.0 111.331 169.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -132.75 142.56 49.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 113.276 -166.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -136.19 148.77 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.186 1.795 . . . . 0.0 111.237 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -80.45 -2.13 44.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.51 144.83 25.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.058 1.743 . . . . 0.0 111.374 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.61 -30.73 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -37.8 80.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.652 1.114 . . . . 0.0 110.54 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -62.64 -42.1 99.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.501 1.12 . . . . 0.0 111.959 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -64.68 -42.29 95.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.79 0.723 . . . . 0.0 112.144 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.72 -44.03 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.139 -0.976 . . . . 0.0 110.244 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -64.89 -36.15 83.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.261 0.937 . . . . 0.0 112.597 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -59.38 -43.95 92.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.044 0.838 . . . . 0.0 111.395 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -63.38 -43.12 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.696 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -60.91 -34.78 75.2 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.373 0.988 . . . . 0.0 113.447 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.21 -34.56 22.01 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.37 -26.57 8.67 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.358 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.0 p80 . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 121.353 0.597 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.81 145.61 55.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.217 1.407 . . . . 0.0 111.377 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -93.46 -19.22 21.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.03 0.932 . . . . 0.0 113.312 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.38 -45.45 9.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.975 0.91 . . . . 0.0 112.043 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.11 2.99 9.88 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.126 1.37 . . . . 0.0 114.624 -176.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.9 11.62 3.38 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.3 150.01 48.75 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.172 -0.955 . . . . 0.0 112.042 172.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -97.0 147.96 23.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 112.292 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -136.19 161.42 35.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.232 1.813 . . . . 0.0 111.767 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -42.07 16.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 0.0 112.597 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.04 147.53 52.45 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.111 1.364 . . . . 0.0 112.151 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.51 -34.95 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.266 0.626 . . . . 0.0 112.413 -175.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -66.9 -38.44 86.25 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.826 -0.546 . . . . 0.0 111.847 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.54 -37.64 71.11 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.189 0.995 . . . . 0.0 111.342 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.92 -42.02 98.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.698 0.799 . . . . 0.0 112.261 171.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.53 -42.27 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.179 -0.95 . . . . 0.0 110.663 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.03 -37.39 84.71 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.154 0.888 . . . . 0.0 112.643 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -60.63 -48.94 79.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.623 170.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.93 -44.53 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.432 0.693 . . . . 0.0 110.902 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -72.21 -11.12 60.58 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -102.02 -33.61 9.65 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.449 1.099 . . . . 0.0 113.225 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.6 mmm -110.93 -25.41 9.84 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 . . . . . 0 CA--C 1.548 0.883 0 C-N-CA 124.658 1.183 . . . . 0.0 113.339 -168.341 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.18 136.45 55.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.549 1.54 . . . . 0.0 112.402 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -7.76 59.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.676 1.59 . . . . 0.0 112.878 176.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -124.79 -28.82 3.47 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -136.76 11.66 3.15 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 58.74 12.44 2.23 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 169.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -70.03 166.92 18.7 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.511 1.124 . . . . 0.0 112.281 171.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 157.33 45.22 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -134.82 162.39 32.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.526 1.131 . . . . 0.0 113.597 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.2 p -89.83 -14.86 33.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.674 1.59 . . . . 0.0 114.021 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -150.37 152.63 34.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.795 1.638 . . . . 0.0 109.891 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.74 -28.75 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.908 0.883 . . . . 0.0 113.054 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.432 ' HD2' ' H ' ' A' ' 23' ' ' LYS . 4.4 mptt -68.68 -34.25 75.35 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.543 -0.723 . . . . 0.0 111.54 -175.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.1 -37.96 84.81 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.957 0.903 . . . . 0.0 111.711 174.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.2 -43.19 92.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.177 0.591 . . . . 0.0 111.677 172.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -43.43 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.27 -0.894 . . . . 0.0 110.798 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.71 -39.43 91.47 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.619 0.767 . . . . 0.0 112.375 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -61.87 -46.53 89.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.834 0.854 . . . . 0.0 112.421 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.34 -43.19 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.437 -0.79 . . . . 0.0 110.438 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.39 -17.73 64.29 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.43 -39.08 9.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.571 1.148 . . . . 0.0 113.639 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.3 mtp -110.9 -20.95 12.27 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -172.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 125.126 1.37 . . . . 0.0 111.825 -169.725 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.0 p80 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 120.978 0.418 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.52 142.93 54.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.217 1.007 . . . . 0.0 111.284 169.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -89.3 -6.5 56.68 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.851 1.261 . . . . 0.0 113.192 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -124.26 -30.36 3.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.594 1.158 . . . . 0.0 113.781 -170.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.3 p -132.91 8.16 4.08 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.978 1.311 . . . . 0.0 114.502 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 57.99 15.62 3.26 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.971 2.509 . . . . 0.0 117.2 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -67.62 147.5 52.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.401 1.08 . . . . 0.0 111.941 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -86.2 140.31 30.27 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.782 1.633 . . . . 0.0 111.991 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -139.38 117.55 11.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.533 1.533 . . . . 0.0 111.324 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 m -71.49 -16.83 62.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -126.51 131.25 51.65 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 111.668 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.85 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.039 0.936 . . . . 0.0 112.958 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -72.02 -33.24 67.89 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.766 -0.584 . . . . 0.0 111.714 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -68.19 -35.95 78.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.534 0.734 . . . . 0.0 112.301 171.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.47 -52.06 67.2 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.158 0.89 . . . . 0.0 109.825 168.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.31 -38.64 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.669 -0.644 . . . . 0.0 110.457 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -56.52 -45.38 81.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.976 1.31 . . . . 0.0 112.29 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.04 -45.95 91.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.742 0.701 . . . . 0.0 112.058 174.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.77 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.756 . . . . 0.0 111.112 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.43 -30.26 70.57 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.173 0.989 . . . . 0.0 113.569 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -85.71 -33.16 21.57 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -111.95 -25.05 9.6 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 115.486 1.662 . . . . 0.0 115.486 -167.621 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 p -78.03 -20.42 52.46 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -150.86 157.1 42.5 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.67 1.588 . . . . 0.0 111.47 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.97 169.49 37.6 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.983 1.277 . . . . 0.0 113.448 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -80.41 40.0 0.48 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.57 1.548 . . . . 0.0 113.782 -175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 m -74.57 147.15 41.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.996 1.318 . . . . 0.0 112.791 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.57 12.21 80.37 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.217 1.247 . . . . 0.0 116.217 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 pt -75.62 -15.93 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 118.86 1.33 . . . . 0.0 114.348 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -73.51 149.67 42.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.578 1.151 . . . . 0.0 112.278 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -128.52 161.35 29.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.591 1.557 . . . . 0.0 112.268 -169.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -129.35 148.62 51.29 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.505 1.122 . . . . 0.0 112.885 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.28 127.48 32.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.629 1.172 . . . . 0.0 110.664 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -80.02 -8.18 59.22 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.567 0.747 . . . . 0.0 112.995 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -101.58 -48.2 4.4 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.803 1.241 . . . . 0.0 112.503 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -120.46 5.1 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -175.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 62.43 15.73 8.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.745 2.018 . . . . 0.0 115.432 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.77 168.35 16.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.24 169.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.61 147.36 52.28 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.055 1.342 . . . . 0.0 112.863 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -138.23 148.95 45.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.177 1.791 . . . . 0.0 110.899 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -77.96 -4.62 47.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -153.09 163.26 40.18 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.446 1.898 . . . . 0.0 111.445 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 p -75.21 -28.48 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -73.53 -41.94 62.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.093 -1.004 . . . . 0.0 111.6 -171.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -66.49 -32.16 73.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.492 0.717 . . . . 0.0 112.237 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.41 -42.6 87.58 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.681 0.673 . . . . 0.0 112.202 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.77 -41.95 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 120.982 -1.074 . . . . 0.0 110.789 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.24 -43.13 99.38 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.614 -0.679 . . . . 0.0 112.078 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -58.67 -46.18 87.76 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.609 0.763 . . . . 0.0 112.285 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -48.67 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.569 0.747 . . . . 0.0 110.445 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -65.19 -30.52 71.43 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.05 -39.51 25.65 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 40.2 mtp -107.56 -21.91 12.72 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -170.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -129.41 -40.68 1.42 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -169.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 39.28 72.84 0.89 Allowed Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 128.049 2.539 . . . . 0.0 114.505 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -77.7 61.54 7.55 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 124.336 3.357 . . . . 0.0 112.048 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -9.78 59.56 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -171.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.576 1.951 . . . . 0.0 112.624 178.965 . . . . . . . . 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 1.478 1.444 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -76.35 162.67 27.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.93 1.292 . . . . 0.0 113.095 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -146.67 153.21 40.03 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.039 1.335 . . . . 0.0 111.74 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.03 168.43 29.47 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.11 1.338 . . . . 0.0 114.378 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -133.69 -16.1 2.34 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -175.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p -86.94 -9.81 54.75 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.335 1.454 . . . . 0.0 114.369 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 -158.68 26.43 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.427 1.489 . . . . 0.0 112.598 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.0 tt -136.04 145.61 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.509 1.524 . . . . 0.0 111.192 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -146.85 155.88 42.68 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.702 1.601 . . . . 0.0 112.36 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -139.0 159.69 41.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.135 2.174 . . . . 0.0 109.202 172.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -136.7 153.1 50.98 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.12 155.36 28.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.721 1.609 . . . . 0.0 112.28 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -107.47 -4.26 18.64 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.003 1.721 . . . . 0.0 113.172 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.25 -30.46 5.6 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.065 1.346 . . . . 0.0 113.086 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -133.03 1.64 3.56 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.07 15.77 3.41 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.431 2.292 . . . . 0.0 116.551 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -67.48 150.55 48.73 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.677 1.191 . . . . 0.0 111.965 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -97.74 142.86 29.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.714 1.606 . . . . 0.0 112.384 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -134.16 152.34 51.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.552 1.941 . . . . 0.0 111.007 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -86.21 -6.78 58.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -147.85 141.58 25.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.389 1.476 . . . . 0.0 112.019 -173.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.54 -35.55 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.3 -37.39 66.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.148 0.886 . . . . 0.0 111.049 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -63.89 -37.23 86.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.395 1.078 . . . . 0.0 111.89 169.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.84 -42.47 90.46 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.753 0.706 . . . . 0.0 112.344 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.67 -38.88 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 121.155 -0.965 . . . . 0.0 110.556 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.47 -45.01 96.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.758 0.823 . . . . 0.0 111.876 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -56.7 -49.09 76.18 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.557 0.743 . . . . 0.0 111.652 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.05 -49.68 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.616 0.766 . . . . 0.0 110.927 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -74.7 -19.75 60.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -87.77 -36.35 17.36 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.98 -28.97 12.45 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -127.61 -33.02 2.34 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.173 0.989 . . . . 0.0 113.546 -169.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 44.99 60.2 13.3 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.766 2.427 . . . . 0.0 115.302 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -66.66 157.0 63.14 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.405 2.736 . . . . 0.0 112.0 173.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -79.39 42.26 0.5 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.903 1.681 . . . . 0.0 113.188 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.517 1.927 . . . . 0.0 112.942 178.991 . . . . . . . . 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 1.479 1.562 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -71.95 152.95 42.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.647 1.179 . . . . 0.0 113.155 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -120.92 13.58 11.43 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.171 1.389 . . . . 0.0 114.218 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.47 155.02 52.96 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.393 0.997 . . . . 0.0 114.038 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -68.11 136.34 53.57 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.536 1.134 . . . . 0.0 112.893 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -71.94 -17.01 62.11 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -171.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.04 75.86 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-O 119.202 -0.776 . . . . 0.0 114.464 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.27 0.5 OUTLIER 58.82 -41.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 130.307 3.443 . . . . 0.0 117.399 174.794 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -84.99 157.31 20.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.788 1.635 . . . . 0.0 113.344 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -86.77 157.03 19.69 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.052 1.341 . . . . 0.0 110.458 173.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -138.33 153.58 48.98 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -66.75 153.96 41.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.871 1.668 . . . . 0.0 111.904 171.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -105.45 -9.03 17.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.596 1.559 . . . . 0.0 113.727 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -107.96 -30.92 8.2 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.829 1.252 . . . . 0.0 113.15 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -135.92 1.07 2.72 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.3 1.44 . . . . 0.0 114.645 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.43 17.59 6.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.174 2.19 . . . . 0.0 116.825 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.6 157.13 24.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.169 0.895 . . . . 0.0 111.51 168.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.35 144.22 40.9 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.916 1.687 . . . . 0.0 112.14 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.3 141.35 37.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.58 1.552 . . . . 0.0 111.638 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -67.89 -15.14 63.48 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -173.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.56 163.05 39.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.864 1.665 . . . . 0.0 111.977 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.75 -28.53 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.772 0.829 . . . . 0.0 113.123 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.97 -40.49 62.96 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.516 -0.74 . . . . 0.0 111.317 -173.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -66.51 -34.72 78.55 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.761 0.824 . . . . 0.0 112.084 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.06 -47.03 81.74 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.663 0.665 . . . . 0.0 111.91 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.01 -41.43 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.32 -0.863 . . . . 0.0 110.753 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.03 -44.23 97.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.446 0.698 . . . . 0.0 111.893 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -57.55 -47.09 82.98 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.759 0.823 . . . . 0.0 112.254 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.83 -47.59 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.144 0.577 . . . . 0.0 110.143 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.26 -30.06 70.9 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.104 0.962 . . . . 0.0 113.342 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.42 -40.2 30.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mtp -112.22 -18.89 12.43 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -168.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -129.65 -41.83 1.32 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.503 1.047 . . . . 0.0 113.632 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t0 40.8 60.3 7.67 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 127.867 2.467 . . . . 0.0 114.734 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.05 132.57 30.43 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.448 2.765 . . . . 0.0 112.238 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -95.42 -13.51 24.57 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.186 0 C-N-CA 126.413 1.885 . . . . 0.0 112.437 178.192 . . . . . . . . 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 1.479 1.559 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -77.29 157.04 30.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.725 1.21 . . . . 0.0 113.311 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -83.61 163.33 20.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.212 1.405 . . . . 0.0 113.212 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.96 168.04 41.19 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.89 1.233 . . . . 0.0 113.094 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -71.81 -36.74 70.36 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.641 0.776 . . . . 0.0 113.051 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -151.87 150.48 30.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.022 1.329 . . . . 0.0 112.168 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.16 -7.86 82.65 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.337 0.97 . . . . 0.0 115.408 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.6 pp -91.66 1.32 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -69.89 151.77 45.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.493 1.117 . . . . 0.0 112.714 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -130.12 166.92 19.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.712 1.605 . . . . 0.0 111.996 -169.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -136.95 152.71 50.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.719 0.808 . . . . 0.0 112.944 169.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.13 135.31 54.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.087 1.355 . . . . 0.0 112.665 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -70.4 -28.94 65.47 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.285 1.034 . . . . 0.0 112.062 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -100.12 -33.43 10.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 113.679 -169.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.4 6.65 3.83 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.65 13.42 3.4 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.36 2.264 . . . . 0.0 116.683 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -68.03 148.9 50.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.289 1.036 . . . . 0.0 111.507 172.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -93.54 144.64 25.17 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.701 1.6 . . . . 0.0 112.439 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -138.7 135.25 34.58 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.774 1.63 . . . . 0.0 112.045 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -10.76 59.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.2 141.59 25.27 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.819 1.248 . . . . 0.0 111.349 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.36 -33.8 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.35 -34.6 68.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.152 0.887 . . . . 0.0 111.235 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -66.27 -38.79 88.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.855 0.862 . . . . 0.0 111.083 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.25 -42.37 96.54 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.537 -0.727 . . . . 0.0 112.339 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.93 -42.29 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.014 -1.054 . . . . 0.0 110.687 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.94 -43.06 99.21 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.482 0.713 . . . . 0.0 112.254 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.26 -46.62 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.831 0.742 . . . . 0.0 112.002 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.03 -48.41 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.653 -0.655 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -68.59 -25.11 64.71 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -86.28 -34.5 20.35 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -108.68 -25.52 10.81 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -171.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -128.05 -38.49 1.81 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.2 t0 41.82 61.27 8.38 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 127.941 2.496 . . . . 0.0 114.928 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -64.75 140.42 67.53 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.43 2.753 . . . . 0.0 112.208 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -133.12 0.68 3.45 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -174.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.14 1.776 . . . . 0.0 112.633 -178.283 . . . . . . . . 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 1.48 1.584 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p -95.19 7.15 47.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.812 1.645 . . . . 0.0 114.78 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -125.77 176.34 6.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.66 1.984 . . . . 0.0 112.393 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.21 -102.35 0.78 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.249 0.928 . . . . 0.0 112.462 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 m -69.02 -13.29 62.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.588 1.155 . . . . 0.0 113.59 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -119.88 167.55 12.01 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.358 1.863 . . . . 0.0 112.014 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.02 -172.04 55.17 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.031 1.301 . . . . 0.0 114.65 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.42 136.53 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.882 1.273 . . . . 0.0 111.813 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -107.09 148.94 28.17 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.398 1.479 . . . . 0.0 112.532 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -103.79 27.13 7.8 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.112 1.365 . . . . 0.0 112.206 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -105.95 144.46 32.63 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.824 1.65 . . . . 0.0 110.924 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.49 154.93 16.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.828 1.651 . . . . 0.0 113.956 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -84.03 -23.77 30.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.509 1.924 . . . . 0.0 112.66 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -119.93 -25.33 5.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -130.28 0.48 4.6 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 56.61 10.61 0.73 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.602 2.361 . . . . 0.0 116.425 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.72 149.83 48.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.474 1.11 . . . . 0.0 111.71 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -95.8 143.46 27.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.874 1.27 . . . . 0.0 112.565 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.87 157.57 37.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.648 1.579 . . . . 0.0 111.225 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -82.56 -11.64 58.29 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -150.16 142.86 24.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.758 1.623 . . . . 0.0 111.364 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.82 -33.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 113.204 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -74.35 -40.04 62.4 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.527 -0.733 . . . . 0.0 109.848 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -64.82 -36.58 84.78 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.21 1.404 . . . . 0.0 111.993 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.21 -42.1 93.82 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.063 0.847 . . . . 0.0 112.162 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.372 -0.83 . . . . 0.0 110.201 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -62.22 -38.41 89.09 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.303 -0.873 . . . . 0.0 112.613 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -58.5 -42.96 88.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.773 0.829 . . . . 0.0 111.648 169.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.33 -40.7 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.401 -0.812 . . . . 0.0 111.154 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -68.86 -23.91 64.29 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.93 -35.16 13.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.13 0.972 . . . . 0.0 113.456 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.01 -24.03 10.16 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -172.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -135.06 24.67 3.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -168.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.16 127.46 90.99 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.124 0.97 . . . . 0.0 112.666 -171.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.39 155.07 55.92 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.235 2.624 . . . . 0.0 113.147 -175.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -140.28 140.65 35.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.128 1.771 . . . . 0.0 109.885 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.783 2.033 . . . . 0.0 112.662 179.52 . . . . . . . . 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 1.689 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -149.61 149.77 31.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.045 1.338 . . . . 0.0 111.936 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -79.32 -9.62 59.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.789 1.236 . . . . 0.0 113.453 172.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.04 170.19 38.34 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.1 1.333 . . . . 0.0 114.166 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.2 p -106.22 -2.33 22.56 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.635 1.574 . . . . 0.0 114.934 -173.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 t -71.14 148.7 47.14 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.211 1.005 . . . . 0.0 113.241 -175.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.57 3.6 62.99 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.493 1.52 . . . . 0.0 116.034 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.5 pt -77.23 40.96 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 126.3 1.84 . . . . 0.0 114.011 -174.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -0.57 17.98 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -172.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -76.35 113.33 13.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.896 1.278 . . . . 0.0 109.128 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -134.2 148.64 50.92 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.238 1.015 . . . . 0.0 111.966 -172.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -66.89 134.58 52.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.4 1.08 . . . . 0.0 111.702 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.4 -22.1 52.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.117 0.967 . . . . 0.0 112.656 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -103.42 -34.52 8.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.56 1.144 . . . . 0.0 113.597 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -132.65 7.0 4.09 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 59.04 18.94 6.76 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 127.033 2.133 . . . . 0.0 116.103 169.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.5 161.03 30.33 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.712 1.205 . . . . 0.0 111.9 170.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -114.03 141.99 46.74 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.838 1.655 . . . . 0.0 112.212 -169.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -136.62 154.66 50.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.018 1.727 . . . . 0.0 111.683 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 m -87.66 -8.78 55.72 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -154.74 162.35 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.904 1.682 . . . . 0.0 111.742 -175.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.6 -27.89 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.34 -41.78 55.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.362 -0.836 . . . . 0.0 111.57 -171.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -66.53 -33.94 76.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.624 0.77 . . . . 0.0 112.276 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.87 -47.29 81.26 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.607 0.64 . . . . 0.0 111.761 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.31 -42.08 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.826 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.35 -42.64 96.13 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.722 0.809 . . . . 0.0 111.98 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -59.96 -46.91 87.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.74 0.816 . . . . 0.0 111.987 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.41 -45.09 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.576 -0.702 . . . . 0.0 110.7 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -30.24 71.25 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.151 0.98 . . . . 0.0 113.476 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -87.52 -33.83 18.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.826 1.046 . . . . 0.0 113.826 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.0 -25.43 9.39 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -131.49 5.1 4.34 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -168.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.95 121.07 59.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.19 0.996 . . . . 0.0 111.941 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.67 125.59 11.84 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.08 2.52 . . . . 0.0 112.074 -176.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -145.51 141.23 28.11 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.259 1.824 . . . . 0.0 109.689 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.579 1.552 . . . . 0.0 113.699 177.304 . . . . . . . . 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 1.48 1.622 0 N-CA-C 112.079 -0.408 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -66.71 146.24 54.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.521 1.128 . . . . 0.0 112.949 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -151.98 150.04 29.56 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.081 1.353 . . . . 0.0 111.738 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.43 156.42 10.33 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.966 1.27 . . . . 0.0 113.404 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m -93.67 -5.87 47.62 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -80.8 44.45 0.74 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.08 1.752 . . . . 0.0 114.261 -170.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.06 151.71 52.07 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.458 1.028 . . . . 0.0 113.496 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.12 148.31 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.825 1.65 . . . . 0.0 111.157 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.39 -20.08 3.73 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -171.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -75.07 121.18 21.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.983 1.313 . . . . 0.0 109.807 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -136.53 153.51 50.98 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.2 145.56 55.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.756 1.622 . . . . 0.0 111.978 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -12.84 35.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.901 1.681 . . . . 0.0 112.599 175.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -117.34 -29.34 5.88 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -135.73 6.72 3.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 57.67 15.59 2.97 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 127.757 2.423 . . . . 0.0 117.321 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -69.32 160.62 30.93 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.461 1.104 . . . . 0.0 111.632 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -114.33 148.53 37.43 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.289 1.436 . . . . 0.0 113.288 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -136.35 159.46 41.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.783 2.033 . . . . 0.0 111.131 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -79.97 -13.68 59.16 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -156.32 163.61 39.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.712 1.605 . . . . 0.0 112.021 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.28 -28.87 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -75.38 -43.56 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.17 -0.956 . . . . 0.0 111.239 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -66.53 -31.43 72.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.471 0.709 . . . . 0.0 112.313 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.46 -45.16 88.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.56 0.618 . . . . 0.0 112.016 170.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.5 -42.16 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.126 -0.984 . . . . 0.0 110.671 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.57 -43.1 93.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.838 0.744 . . . . 0.0 112.057 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -58.15 -48.89 78.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.733 0.697 . . . . 0.0 111.628 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.69 -46.23 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.284 0.634 . . . . 0.0 110.994 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -70.69 -30.51 67.1 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -82.48 -33.62 28.32 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.15 -27.2 11.73 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -129.1 -39.65 1.54 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -168.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.6 t0 42.24 66.34 4.21 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 126.934 2.094 . . . . 0.0 114.149 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.79 139.59 58.04 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.066 2.511 . . . . 0.0 111.493 175.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -144.06 139.85 29.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.012 1.725 . . . . 0.0 109.814 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.527 1.931 . . . . 0.0 112.679 179.682 . . . . . . . . 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 1.48 1.61 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -80.5 45.4 0.77 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.439 1.496 . . . . 0.0 113.744 -174.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -63.15 111.78 2.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.054 1.342 . . . . 0.0 111.571 -175.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.35 8.04 69.63 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.388 0.994 . . . . 0.0 115.144 -174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -130.75 2.03 4.43 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.492 1.517 . . . . 0.0 114.565 -175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -66.41 146.77 54.19 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.715 1.206 . . . . 0.0 112.876 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.4 167.68 16.93 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.06 1.314 . . . . 0.0 114.779 -176.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mm -86.42 88.82 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.691 1.196 . . . . 0.0 109.117 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.01 140.55 55.62 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.054 0.942 . . . . 0.0 113.536 -171.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -151.64 178.25 9.54 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.219 1.808 . . . . 0.0 111.498 -173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -133.92 153.11 51.98 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.554 1.141 . . . . 0.0 110.463 167.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.19 145.62 50.48 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.093 0.949 . . . . 0.0 111.392 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -102.1 2.47 37.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.046 1.739 . . . . 0.0 112.201 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -126.74 -29.42 2.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.545 1.538 . . . . 0.0 113.441 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -133.72 8.7 3.88 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 58.49 12.66 2.16 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.12 142.74 55.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.581 1.152 . . . . 0.0 111.677 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -77.54 139.87 39.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.427 1.091 . . . . 0.0 111.301 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.41 141.39 49.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.578 1.551 . . . . 0.0 112.582 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -70.26 -26.05 63.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.362 1.465 . . . . 0.0 114.197 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -153.04 147.37 25.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.833 1.253 . . . . 0.0 112.008 -175.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.54 -34.09 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -75.36 -37.67 60.49 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.601 1.091 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.38 -41.46 89.41 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 111.002 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.03 -41.45 90.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.438 -0.789 . . . . 0.0 112.766 173.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.71 -38.64 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.725 1.148 . . . . 0.0 110.824 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.438 0.695 . . . . 0.0 111.97 171.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.69 -46.43 89.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.937 0.789 . . . . 0.0 112.286 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.21 -48.4 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 110.307 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.19 -26.93 66.87 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -83.11 -39.26 21.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 mtp -108.76 -19.78 13.3 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -170.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -128.71 -41.27 1.5 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.331 0.969 . . . . 0.0 113.457 -171.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.2 t0 41.31 59.75 8.59 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 127.73 2.412 . . . . 0.0 114.008 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -64.77 128.55 21.21 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.016 3.144 . . . . 0.0 112.363 -170.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -150.08 11.49 0.73 Allowed 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -170.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.53 1.532 . . . . 0.0 113.554 -179.437 . . . . . . . . 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 1.618 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -67.96 152.58 45.31 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.656 1.183 . . . . 0.0 113.079 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -70.42 -15.69 62.86 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.57 167.86 40.97 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.843 1.687 . . . . 0.0 112.292 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -153.07 163.24 40.22 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.889 1.275 . . . . 0.0 112.815 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -133.72 150.2 51.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.054 1.742 . . . . 0.0 110.798 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.83 -46.41 53.22 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.461 0.553 . . . . 0.0 113.796 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.1 mm 59.98 -58.24 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 128.879 2.872 . . . . 0.0 115.219 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.7 157.49 33.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.59 1.556 . . . . 0.0 112.678 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -132.74 159.84 38.55 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.849 2.06 . . . . 0.0 110.099 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -136.41 153.22 51.15 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.2 136.17 53.18 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.867 1.667 . . . . 0.0 112.445 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -77.33 -19.3 56.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.292 1.437 . . . . 0.0 112.657 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -110.84 -29.82 7.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -136.83 8.96 3.05 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 59.02 14.49 3.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 169.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -66.83 156.25 36.11 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.641 1.177 . . . . 0.0 111.449 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -124.35 141.21 52.25 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.183 1.393 . . . . 0.0 112.147 -170.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.95 144.53 39.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.767 1.627 . . . . 0.0 111.473 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 m -84.02 2.59 38.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -146.42 138.08 24.69 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.934 1.694 . . . . 0.0 111.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -71.35 -32.98 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.55 -36.9 65.7 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.406 -0.809 . . . . 0.0 111.298 -175.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -63.06 -39.8 95.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.335 1.054 . . . . 0.0 111.89 169.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.74 -45.46 89.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.563 0.62 . . . . 0.0 111.843 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.79 -42.04 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 110.808 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.6 -42.73 98.23 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.487 -0.758 . . . . 0.0 111.997 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -56.12 -46.49 79.14 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.229 0.922 . . . . 0.0 111.488 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.91 -48.15 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.598 0.759 . . . . 0.0 110.294 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -63.89 -33.22 75.22 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.78 1.232 . . . . 0.0 113.45 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.9 -35.63 32.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.888 0.875 . . . . 0.0 113.204 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtp -112.03 -19.79 12.2 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -170.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -130.47 -36.09 1.48 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.234 0.925 . . . . 0.0 113.405 -172.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.2 t0 43.21 57.56 12.04 Favored Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 128.303 2.641 . . . . 0.0 115.138 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.41 158.03 48.66 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 124.209 3.273 . . . . 0.0 113.011 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -144.12 136.24 26.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.359 1.464 . . . . 0.0 110.35 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.499 2.32 . . . . 0.0 114.751 -179.937 . . . . . . . . 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 1.622 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -80.13 -23.39 41.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 m -81.58 131.19 35.26 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.51 1.124 . . . . 0.0 111.298 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.11 177.27 40.28 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.361 0.981 . . . . 0.0 113.847 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.259 91.3 p 49.45 31.62 4.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 126.884 2.073 . . . . 0.0 115.712 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -71.11 158.69 36.02 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.377 1.471 . . . . 0.0 113.38 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.59 -152.18 4.34 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.326 0.965 . . . . 0.0 112.501 169.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.5 pt -72.29 1.28 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.37 59.29 3.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.267 1.827 . . . . 0.0 112.889 -174.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -78.03 72.54 4.57 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.156 0.982 . . . . 0.0 110.392 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -136.24 153.91 51.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.624 1.169 . . . . 0.0 112.051 173.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.24 149.81 32.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.136 1.374 . . . . 0.0 111.687 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -109.51 5.55 23.31 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.149 1.779 . . . . 0.0 113.271 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -120.54 -32.13 4.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.481 1.512 . . . . 0.0 112.833 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -136.59 9.12 3.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 59.42 10.79 1.96 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 118.028 2.603 . . . . 0.0 118.028 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -70.63 148.95 47.53 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.386 1.074 . . . . 0.0 112.393 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -91.34 147.92 22.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.654 1.582 . . . . 0.0 112.648 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.19 154.06 51.74 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.167 1.787 . . . . 0.0 111.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 m -83.01 -11.68 57.91 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -152.55 145.44 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.244 1.417 . . . . 0.0 111.973 -172.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.03 -32.87 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -75.51 -36.82 60.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.25 0.932 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.18 -38.09 89.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.604 0.762 . . . . 0.0 111.848 170.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.17 -41.56 97.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.485 0.714 . . . . 0.0 112.487 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.402 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -64.16 -33.46 75.84 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.071 -1.018 . . . . 0.0 112.869 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -61.04 -43.04 99.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.311 0.959 . . . . 0.0 111.322 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.0 -41.32 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.473 -0.767 . . . . 0.0 110.832 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -61.46 -32.42 72.41 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.04 -35.11 16.54 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.63 -24.75 9.48 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -170.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -135.94 20.68 3.26 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.663 1.356 . . . . 0.0 114.663 -167.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -65.87 148.31 98.34 Favored Pre-proline 0 CA--C 1.55 0.978 0 O-C-N 121.085 -1.009 . . . . 0.0 113.324 -174.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -79.29 54.3 5.11 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 124.515 3.477 . . . . 0.0 112.628 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.273 18.9 pt20 45.23 51.86 9.0 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.974 2.11 . . . . 0.0 113.372 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.695 1.998 . . . . 0.0 113.603 -169.513 . . . . . . . . 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 1.478 1.486 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -64.43 146.47 54.45 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.555 1.142 . . . . 0.0 113.244 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -77.92 163.13 26.28 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.458 1.103 . . . . 0.0 113.843 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.3 -21.59 0.06 OUTLIER Glycine 0 CA--C 1.538 1.491 0 N-CA-C 115.487 0.955 . . . . 0.0 115.487 172.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -82.61 39.22 0.6 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.074 1.75 . . . . 0.0 114.847 -175.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 m 60.09 179.75 0.09 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.612 1.965 . . . . 0.0 114.994 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.49 -152.55 46.5 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.305 0.955 . . . . 0.0 113.009 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 pt -64.13 138.74 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 122.073 -0.663 . . . . 0.0 110.976 173.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -149.46 149.19 30.39 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -169.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -80.05 90.13 5.4 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.139 1.775 . . . . 0.0 110.834 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -132.23 147.9 52.43 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.263 1.425 . . . . 0.0 110.665 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.79 135.89 57.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.582 0.753 . . . . 0.0 111.725 170.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -73.26 -22.36 60.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.16 1.384 . . . . 0.0 112.695 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -114.49 -28.82 7.05 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.12 10.82 4.59 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.31 8.49 1.15 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.979 2.512 . . . . 0.0 117.657 169.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -66.27 142.67 57.6 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 111.871 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -73.59 148.19 43.16 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 111.394 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -132.68 152.96 51.56 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.1 p -89.0 -19.37 25.77 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.977 1.711 . . . . 0.0 115.284 -171.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.88 147.85 27.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.35 1.46 . . . . 0.0 109.981 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.56 -35.11 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.533 -0.73 . . . . 0.0 112.293 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -74.75 -33.79 62.4 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.635 -0.666 . . . . 0.0 111.309 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.0 -39.99 87.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.67 1.188 . . . . 0.0 111.093 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.41 -46.1 90.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.508 1.123 . . . . 0.0 112.194 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.35 -40.07 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.368 -0.833 . . . . 0.0 110.887 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -42.94 98.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.797 0.839 . . . . 0.0 111.948 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -58.79 -46.49 87.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.083 173.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.72 -43.89 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.271 0.629 . . . . 0.0 110.962 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.2 mtp-105 -69.98 -21.82 63.2 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -90.6 -40.7 11.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.311 1.044 . . . . 0.0 113.641 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtp -107.32 -20.64 13.21 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -135.28 36.15 2.99 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.137 1.375 . . . . 0.0 111.841 -170.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -60.09 137.5 91.15 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -169.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.54 145.32 41.95 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.503 2.802 . . . . 0.0 111.786 174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -143.23 140.98 30.94 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.699 1.6 . . . . 0.0 110.171 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.825 2.05 . . . . 0.0 112.71 179.869 . . . . . . . . 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 1.48 1.576 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -77.02 160.89 28.76 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.82 1.248 . . . . 0.0 113.234 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -148.99 146.98 28.05 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.058 1.343 . . . . 0.0 111.855 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.19 -2.47 90.45 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.832 1.206 . . . . 0.0 114.658 171.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 59.17 -175.77 0.09 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.002 1.721 . . . . 0.0 113.789 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -145.29 159.13 43.5 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.633 1.573 . . . . 0.0 112.096 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.32 -174.54 24.08 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.194 1.378 . . . . 0.0 114.395 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.345 1.8 pp 50.55 24.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 127.502 2.321 . . . . 0.0 116.016 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 159.57 18.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.09 1.356 . . . . 0.0 113.513 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -77.32 45.9 0.49 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.061 2.144 . . . . 0.0 113.524 -169.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -92.16 146.18 23.92 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.075 1.35 . . . . 0.0 112.485 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.24 124.95 25.19 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.566 0.746 . . . . 0.0 109.997 169.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -71.64 -19.87 62.04 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 111.644 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -104.33 -33.14 8.75 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.992 1.317 . . . . 0.0 114.014 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 p -133.63 11.17 4.05 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.88 14.77 5.45 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.983 2.513 . . . . 0.0 117.717 167.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -73.84 171.14 13.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.659 1.583 . . . . 0.0 111.459 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 137.81 48.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.161 1.384 . . . . 0.0 112.101 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -114.09 165.43 12.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.489 1.516 . . . . 0.0 113.537 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 p -72.88 -27.17 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.055 1.342 . . . . 0.0 114.143 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.64 153.69 32.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.893 1.677 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -57.81 -35.78 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.297 -0.877 . . . . 0.0 111.739 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -71.4 -12.08 61.22 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.361 -0.837 . . . . 0.0 112.894 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -95.82 -30.78 13.5 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.243 1.417 . . . . 0.0 111.866 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.49 -41.71 94.81 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.542 -0.724 . . . . 0.0 111.662 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.24 -34.86 69.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 120.965 -1.084 . . . . 0.0 111.852 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -64.42 -37.54 87.9 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.357 0.981 . . . . 0.0 112.028 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -64.07 -49.16 73.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.043 0.537 . . . . 0.0 111.564 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.58 -48.0 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.84 0.746 . . . . 0.0 110.991 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -67.77 -24.43 65.33 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.25 -36.1 12.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.386 1.074 . . . . 0.0 113.514 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.3 mmm -101.47 -25.75 13.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -172.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -128.43 -49.01 1.29 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -169.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 39.53 59.26 6.47 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 126.929 2.092 . . . . 0.0 113.832 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.55 138.27 53.83 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.613 2.875 . . . . 0.0 113.321 -169.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -152.74 -43.88 0.1 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.028 1.331 . . . . 0.0 112.189 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.201 1.801 . . . . 0.0 112.5 -179.91 . . . . . . . . 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 1.616 0 N-CA-C 111.963 -0.455 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 p -146.73 159.23 43.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.261 1.424 . . . . 0.0 112.497 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m 61.82 -31.92 0.08 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 128.74 2.816 . . . . 0.0 117.918 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.87 179.21 32.14 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.151 1.358 . . . . 0.0 114.523 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -140.14 3.53 1.98 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -66.76 135.96 54.76 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.59 1.156 . . . . 0.0 113.072 -174.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.8 167.05 43.72 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.578 1.085 . . . . 0.0 114.212 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 tp -86.42 -8.92 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.317 1.447 . . . . 0.0 113.602 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -54.32 144.84 19.34 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.889 1.676 . . . . 0.0 112.623 -176.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -118.05 143.26 46.58 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.496 1.518 . . . . 0.0 112.005 -172.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -98.91 145.08 27.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.415 1.086 . . . . 0.0 111.021 169.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 25' ' ' LEU . 42.3 t -62.63 136.62 57.97 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.745 0.783 . . . . 0.0 112.395 176.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -72.5 -11.52 60.7 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.923 1.289 . . . . 0.0 112.99 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.25 -28.92 3.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.917 1.287 . . . . 0.0 114.047 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -137.14 10.6 3.03 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 58.69 6.62 0.63 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -63.49 149.42 46.17 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.82 1.191 . . . . 0.0 112.208 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.94 137.55 32.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.023 1.329 . . . . 0.0 113.037 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -135.76 149.29 49.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.459 1.904 . . . . 0.0 111.757 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 p -74.41 -23.49 58.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -173.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -151.91 154.7 36.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.057 1.743 . . . . 0.0 110.382 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -57.8 -36.29 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.594 -0.691 . . . . 0.0 112.737 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.58 -30.82 64.73 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.891 1.223 . . . . 0.0 112.176 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -67.12 -34.86 78.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.669 0.788 . . . . 0.0 110.874 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 12' ' ' CYS . 56.3 tp -69.4 -38.94 78.18 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.579 169.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.99 -42.96 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 120.233 1.379 . . . . 0.0 110.062 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -60.19 -45.15 94.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.817 0.847 . . . . 0.0 112.116 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -59.28 -46.35 88.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.714 0.688 . . . . 0.0 112.389 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.1 -48.09 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.458 0.703 . . . . 0.0 110.455 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.86 -28.58 69.07 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -83.21 -38.4 22.32 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.3 mtp -112.09 -17.83 12.73 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -169.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -128.5 -44.11 1.39 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.659 1.118 . . . . 0.0 113.782 -173.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.8 t70 39.45 70.97 1.25 Allowed Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 127.83 2.452 . . . . 0.0 114.387 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -62.92 140.87 81.82 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.971 2.447 . . . . 0.0 112.024 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -142.61 144.95 33.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.219 1.808 . . . . 0.0 109.668 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.672 1.989 . . . . 0.0 112.675 178.0 . . . . . . . . 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 1.48 1.633 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -67.94 152.32 45.73 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.575 1.15 . . . . 0.0 113.18 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.6 p -147.8 177.8 9.02 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.379 1.471 . . . . 0.0 111.779 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.11 -26.2 58.16 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.274 -0.891 . . . . 0.0 114.174 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -64.76 -13.47 55.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.531 1.532 . . . . 0.0 114.019 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -75.2 2.56 10.63 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.731 1.212 . . . . 0.0 113.789 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.25 49.67 3.66 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.708 1.147 . . . . 0.0 113.125 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.5 tt -64.9 -24.06 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.482 1.113 . . . . 0.0 113.806 -176.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -126.29 155.18 42.36 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.562 1.945 . . . . 0.0 110.621 171.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.43 120.1 20.41 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.481 0.712 . . . . 0.0 111.031 -172.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -141.27 153.35 45.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.729 0.811 . . . . 0.0 112.673 170.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.26 148.36 41.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.012 1.325 . . . . 0.0 111.668 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -88.43 -23.59 23.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 112.433 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -110.64 -28.51 8.44 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p -132.31 6.42 4.16 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp 59.07 12.79 2.58 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.19 2.596 . . . . 0.0 117.569 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -67.68 148.97 50.61 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.423 1.089 . . . . 0.0 112.141 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -91.6 148.69 22.09 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.907 1.683 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -135.28 152.38 51.45 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.8 p -78.04 -23.38 48.19 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.229 1.411 . . . . 0.0 114.547 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -154.03 153.16 31.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.403 1.481 . . . . 0.0 110.953 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.01 -33.31 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 121.484 -0.76 . . . . 0.0 112.551 178.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -71.42 -34.6 70.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.779 -0.576 . . . . 0.0 111.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.0 -37.74 78.87 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.847 0.859 . . . . 0.0 111.717 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.75 -48.3 79.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.278 0.631 . . . . 0.0 111.971 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.1 mt -65.05 -40.97 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.865 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -58.4 -42.83 88.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.621 1.168 . . . . 0.0 112.191 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -61.2 -47.87 84.13 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.438 0.695 . . . . 0.0 112.324 173.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.09 -42.59 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.644 -0.66 . . . . 0.0 110.947 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -69.58 -21.24 63.62 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -90.02 -38.48 13.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.043 0.937 . . . . 0.0 113.439 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.0 mtp -112.39 -20.2 11.89 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -136.68 25.58 3.1 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.446 1.099 . . . . 0.0 113.501 -169.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -61.32 133.18 92.91 Favored Pre-proline 0 CA--C 1.551 0.995 0 O-C-N 120.932 -1.105 . . . . 0.0 113.061 -174.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -61.73 136.05 59.98 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.117 2.545 . . . . 0.0 113.321 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -144.87 141.26 28.95 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.141 1.776 . . . . 0.0 109.744 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.561 1.944 . . . . 0.0 112.751 178.886 . . . . . . . . 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 1.481 1.67 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -135.58 148.58 49.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.056 1.342 . . . . 0.0 111.84 -170.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -139.76 146.95 40.15 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.149 0.98 . . . . 0.0 113.241 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.38 -178.59 34.45 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.094 0.854 . . . . 0.0 113.907 -174.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -69.49 -27.41 65.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -86.97 -17.84 32.13 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.352 1.461 . . . . 0.0 113.714 174.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.68 -5.65 60.64 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.41 1.481 . . . . 0.0 114.976 -171.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.5 mt -79.5 139.1 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 125.232 1.413 . . . . 0.0 112.145 -169.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.72 144.68 28.37 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.296 1.438 . . . . 0.0 111.939 171.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -97.75 158.24 15.62 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.717 2.007 . . . . 0.0 110.147 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -144.34 153.29 41.83 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.0 147.46 53.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.053 1.341 . . . . 0.0 111.056 169.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -96.72 -15.22 21.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.975 1.31 . . . . 0.0 113.371 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -102.03 -36.76 8.47 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.787 1.235 . . . . 0.0 112.751 -174.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -130.91 6.52 4.65 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.29 1.436 . . . . 0.0 114.668 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 58.59 17.16 4.78 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.614 2.366 . . . . 0.0 117.178 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -68.84 160.33 30.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.676 1.191 . . . . 0.0 111.957 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -115.91 145.48 42.86 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.727 1.611 . . . . 0.0 112.722 -171.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -139.46 145.96 39.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.932 1.693 . . . . 0.0 112.432 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -81.21 -13.0 59.01 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.199 1.0 . . . . 0.0 113.595 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -148.23 142.17 25.84 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.838 1.255 . . . . 0.0 112.277 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.07 -31.95 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -74.74 -36.6 62.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.135 0.88 . . . . 0.0 110.333 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.62 -37.41 87.24 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.504 0.722 . . . . 0.0 112.401 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.97 -46.27 89.98 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.787 0.721 . . . . 0.0 111.56 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.46 -44.25 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.238 -0.914 . . . . 0.0 110.831 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -59.19 -41.15 87.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.551 1.14 . . . . 0.0 112.436 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -60.57 -43.42 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.303 0.641 . . . . 0.0 111.868 171.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.46 -40.33 88.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.541 -0.724 . . . . 0.0 110.966 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -62.59 -34.86 77.84 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.921 1.237 . . . . 0.0 112.981 173.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.77 -35.86 22.12 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -112.25 -24.41 9.84 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -171.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -138.31 39.07 2.28 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.79 1.236 . . . . 0.0 112.288 -168.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.7 133.9 78.31 Favored Pre-proline 0 CA--C 1.552 1.038 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 -169.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.75 144.11 27.52 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.2 2.6 . . . . 0.0 111.91 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -142.95 136.48 28.57 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.832 1.653 . . . . 0.0 109.837 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.454 1.901 . . . . 0.0 113.202 -179.613 . . . . . . . . 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 1.479 1.554 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p -64.48 146.75 54.07 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.251 1.02 . . . . 0.0 113.109 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m 58.16 8.29 0.77 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 -172.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.29 -169.16 36.88 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.752 1.168 . . . . 0.0 114.953 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 m 52.85 34.29 16.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.77 1.628 . . . . 0.0 114.669 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -65.65 133.4 51.04 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.085 -1.009 . . . . 0.0 111.469 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.27 13.12 70.1 Favored Glycine 0 CA--C 1.541 1.676 0 N-CA-C 115.176 0.83 . . . . 0.0 115.176 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -118.02 144.81 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.547 1.939 . . . . 0.0 109.978 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -150.87 -55.33 0.15 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.024 0.929 . . . . 0.0 112.731 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -75.12 136.96 41.08 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.237 0.615 . . . . 0.0 110.718 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -145.68 149.14 33.92 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.489 0.716 . . . . 0.0 112.187 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.08 141.62 58.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.717 1.207 . . . . 0.0 113.846 -169.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.89 -16.4 58.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.275 1.43 . . . . 0.0 112.925 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -117.71 -32.26 4.9 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.566 1.146 . . . . 0.0 113.845 -169.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.4 p -134.47 3.62 3.34 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 57.3 18.34 4.25 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.261 2.224 . . . . 0.0 116.641 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.9 150.7 36.76 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.269 -0.894 . . . . 0.0 111.642 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -104.96 140.52 38.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.376 1.87 . . . . 0.0 113.172 -170.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -139.41 153.4 47.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.753 1.621 . . . . 0.0 112.963 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.2 p -88.45 -17.04 31.25 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 114.204 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -148.71 147.13 28.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.245 1.418 . . . . 0.0 111.56 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.18 -34.69 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.19 -35.25 71.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 111.468 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -64.53 -38.97 92.87 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.927 0.891 . . . . 0.0 111.193 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.14 -41.65 81.32 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 173.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.25 -41.88 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.743 1.156 . . . . 0.0 110.744 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -61.52 -38.32 86.95 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.467 0.707 . . . . 0.0 112.421 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -49.6 73.18 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.703 0.683 . . . . 0.0 112.077 171.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.94 -44.19 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.757 0.823 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.62 -6.19 52.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -99.15 -33.34 10.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.0 mmm -112.13 -25.13 9.49 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -171.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -137.64 17.39 2.89 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.803 1.241 . . . . 0.0 113.976 -168.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.34 129.38 88.89 Favored Pre-proline 0 CA--C 1.552 1.047 0 O-C-N 121.042 -1.036 . . . . 0.0 112.707 -169.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -60.11 143.45 99.54 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 123.17 2.58 . . . . 0.0 114.777 -175.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -88.81 -12.01 43.2 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.483 1.113 . . . . 0.0 113.761 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.428 1.891 . . . . 0.0 112.507 -179.173 . . . . . . . . 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 1.479 1.553 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 m -66.74 136.63 55.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.239 1.016 . . . . 0.0 112.646 -177.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -68.11 -22.24 64.9 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 -7.06 86.92 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.725 1.155 . . . . 0.0 115.03 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -107.87 143.88 35.87 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.226 1.41 . . . . 0.0 112.567 -175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -83.12 -23.97 32.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.298 1.039 . . . . 0.0 113.751 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.25 -2.26 71.84 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.994 1.283 . . . . 0.0 114.697 -171.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mt -89.09 47.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.039 1.419 . . . . 0.0 110.51 -176.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -68.26 153.55 43.52 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.262 1.425 . . . . 0.0 113.135 -176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -128.54 137.08 51.57 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.482 1.913 . . . . 0.0 110.042 -172.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -117.35 142.25 47.33 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.064 0.946 . . . . 0.0 112.279 -173.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.28 142.56 55.53 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.516 1.526 . . . . 0.0 111.996 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -86.14 -23.28 26.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.783 1.233 . . . . 0.0 112.426 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -103.14 -34.3 8.9 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.682 1.193 . . . . 0.0 113.212 -169.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -133.31 4.7 3.73 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.64 12.14 3.49 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.322 2.249 . . . . 0.0 116.262 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -65.94 164.15 15.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.676 1.19 . . . . 0.0 111.331 169.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -132.75 142.56 49.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 113.276 -166.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -136.19 148.77 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.186 1.795 . . . . 0.0 111.237 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -80.45 -2.13 44.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.51 144.83 25.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.058 1.743 . . . . 0.0 111.374 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.61 -30.73 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -37.8 80.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.652 1.114 . . . . 0.0 110.54 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -62.64 -42.1 99.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.501 1.12 . . . . 0.0 111.959 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -64.68 -42.29 95.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.79 0.723 . . . . 0.0 112.144 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.72 -44.03 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.139 -0.976 . . . . 0.0 110.244 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -64.89 -36.15 83.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.261 0.937 . . . . 0.0 112.597 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -59.38 -43.95 92.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.044 0.838 . . . . 0.0 111.395 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -63.38 -43.12 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.696 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -60.91 -34.78 75.2 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.373 0.988 . . . . 0.0 113.447 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.21 -34.56 22.01 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.37 -26.57 8.67 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -133.26 3.75 3.67 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -65.04 133.22 95.68 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 124.149 0.98 . . . . 0.0 112.427 -173.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.87 142.96 48.87 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.019 2.479 . . . . 0.0 113.077 -173.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -80.78 -17.59 50.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.825 1.25 . . . . 0.0 113.843 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.254 1.338 0 C-N-CA 127.416 2.287 . . . . 0.0 114.695 -178.26 . . . . . . . . 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 1.481 1.647 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -73.03 148.24 44.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.015 0.926 . . . . 0.0 112.749 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -80.71 -11.04 59.68 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.772 1.229 . . . . 0.0 113.358 172.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.42 146.03 40.01 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.425 1.012 . . . . 0.0 113.959 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -149.8 -59.79 0.2 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.113 1.365 . . . . 0.0 111.699 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.5 m -81.97 153.88 26.01 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.023 1.329 . . . . 0.0 112.399 173.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.77 -161.81 35.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 123.861 0.743 . . . . 0.0 114.17 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.1 pt -78.53 -12.96 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -87.53 174.78 8.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.948 1.699 . . . . 0.0 111.967 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.98 111.22 5.52 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.03 0.932 . . . . 0.0 111.151 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -142.47 153.7 43.89 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.444 1.098 . . . . 0.0 112.488 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.81 145.61 55.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.217 1.407 . . . . 0.0 111.377 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -93.46 -19.22 21.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.03 0.932 . . . . 0.0 113.312 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.38 -45.45 9.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.975 0.91 . . . . 0.0 112.043 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.11 2.99 9.88 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.126 1.37 . . . . 0.0 114.624 -176.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.9 11.62 3.38 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.3 150.01 48.75 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.172 -0.955 . . . . 0.0 112.042 172.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -97.0 147.96 23.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 112.292 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -136.19 161.42 35.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.232 1.813 . . . . 0.0 111.767 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -42.07 16.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 0.0 112.597 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.04 147.53 52.45 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.111 1.364 . . . . 0.0 112.151 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.51 -34.95 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.266 0.626 . . . . 0.0 112.413 -175.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -66.9 -38.44 86.25 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.826 -0.546 . . . . 0.0 111.847 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.54 -37.64 71.11 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.189 0.995 . . . . 0.0 111.342 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.92 -42.02 98.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.698 0.799 . . . . 0.0 112.261 171.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.53 -42.27 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.179 -0.95 . . . . 0.0 110.663 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.03 -37.39 84.71 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.154 0.888 . . . . 0.0 112.643 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -60.63 -48.94 79.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.623 170.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.93 -44.53 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.432 0.693 . . . . 0.0 110.902 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -72.21 -11.12 60.58 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -102.02 -33.61 9.65 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.449 1.099 . . . . 0.0 113.225 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.6 mmm -110.93 -25.41 9.84 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -138.34 20.97 2.76 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.658 1.183 . . . . 0.0 113.339 -168.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.86 127.8 92.1 Favored Pre-proline 0 CA--C 1.55 0.959 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -167.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -58.07 136.06 72.53 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.466 2.777 . . . . 0.0 112.903 176.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -158.84 149.62 20.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.434 1.494 . . . . 0.0 110.904 -171.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.317 0 C-N-CA 126.875 2.07 . . . . 0.0 112.659 179.996 . . . . . . . . 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 1.481 1.65 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -77.22 40.46 0.27 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.013 1.725 . . . . 0.0 112.674 172.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -75.26 152.23 38.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.97 2.108 . . . . 0.0 113.269 -169.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.56 -172.3 44.64 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.398 0.999 . . . . 0.0 113.55 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 p -83.45 3.8 30.49 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.505 1.522 . . . . 0.0 114.763 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -61.67 150.17 37.33 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.739 1.616 . . . . 0.0 114.185 -174.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.75 -156.24 51.69 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.441 1.02 . . . . 0.0 113.541 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 pt -129.28 -179.21 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.227 1.411 . . . . 0.0 111.409 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -76.86 -4.51 44.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -66.89 118.11 9.93 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.23 1.012 . . . . 0.0 111.513 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -138.87 153.49 48.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.473 1.509 . . . . 0.0 113.179 -176.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.18 136.45 55.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.549 1.54 . . . . 0.0 112.402 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -7.76 59.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.676 1.59 . . . . 0.0 112.878 176.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -124.79 -28.82 3.47 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -136.76 11.66 3.15 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 58.74 12.44 2.23 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 169.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -70.03 166.92 18.7 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.511 1.124 . . . . 0.0 112.281 171.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 157.33 45.22 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -134.82 162.39 32.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.526 1.131 . . . . 0.0 113.597 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.2 p -89.83 -14.86 33.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.674 1.59 . . . . 0.0 114.021 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -150.37 152.63 34.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.795 1.638 . . . . 0.0 109.891 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.74 -28.75 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.908 0.883 . . . . 0.0 113.054 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' HD2' ' H ' ' A' ' 23' ' ' LYS . 4.4 mptt -68.68 -34.25 75.35 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.543 -0.723 . . . . 0.0 111.54 -175.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.1 -37.96 84.81 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.957 0.903 . . . . 0.0 111.711 174.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.2 -43.19 92.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.177 0.591 . . . . 0.0 111.677 172.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -43.43 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.27 -0.894 . . . . 0.0 110.798 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.71 -39.43 91.47 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.619 0.767 . . . . 0.0 112.375 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -61.87 -46.53 89.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.834 0.854 . . . . 0.0 112.421 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.34 -43.19 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.437 -0.79 . . . . 0.0 110.438 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.39 -17.73 64.29 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.43 -39.08 9.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.571 1.148 . . . . 0.0 113.639 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.3 mtp -110.9 -20.95 12.27 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -172.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -136.65 33.6 2.71 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.126 1.37 . . . . 0.0 111.825 -169.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.83 136.46 93.16 Favored Pre-proline 0 CA--C 1.551 1.014 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -169.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.17 154.13 69.63 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.539 2.826 . . . . 0.0 114.19 176.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -78.23 -12.6 60.01 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.37 1.868 . . . . 0.0 112.669 -178.516 . . . . . . . . 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 1.606 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -73.6 155.71 38.81 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.7 1.2 . . . . 0.0 113.087 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t 56.81 -161.38 0.21 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.588 1.555 . . . . 0.0 113.772 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.14 17.89 66.07 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.968 1.271 . . . . 0.0 114.945 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 m -60.69 143.3 54.51 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.117 1.367 . . . . 0.0 112.899 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -75.55 -16.77 60.23 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -169.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 174.53 42.29 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.552 1.072 . . . . 0.0 113.699 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.6 pt -108.51 -1.19 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -173.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 158.53 30.89 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.596 1.158 . . . . 0.0 113.466 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -86.72 158.18 19.48 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.436 1.094 . . . . 0.0 110.361 169.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -136.99 153.65 50.62 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.409 0.684 . . . . 0.0 112.063 169.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.52 142.93 54.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.217 1.007 . . . . 0.0 111.284 169.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -89.3 -6.5 56.68 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.851 1.261 . . . . 0.0 113.192 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -124.26 -30.36 3.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.594 1.158 . . . . 0.0 113.781 -170.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.3 p -132.91 8.16 4.08 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.978 1.311 . . . . 0.0 114.502 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 57.99 15.62 3.26 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.971 2.509 . . . . 0.0 117.2 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -67.62 147.5 52.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.401 1.08 . . . . 0.0 111.941 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -86.2 140.31 30.27 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.782 1.633 . . . . 0.0 111.991 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -139.38 117.55 11.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.533 1.533 . . . . 0.0 111.324 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 m -71.49 -16.83 62.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -126.51 131.25 51.65 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 111.668 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.85 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.039 0.936 . . . . 0.0 112.958 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -72.02 -33.24 67.89 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.766 -0.584 . . . . 0.0 111.714 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -68.19 -35.95 78.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.534 0.734 . . . . 0.0 112.301 171.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.47 -52.06 67.2 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.158 0.89 . . . . 0.0 109.825 168.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.31 -38.64 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.669 -0.644 . . . . 0.0 110.457 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -56.52 -45.38 81.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.976 1.31 . . . . 0.0 112.29 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.04 -45.95 91.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.742 0.701 . . . . 0.0 112.058 174.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.77 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.756 . . . . 0.0 111.112 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.43 -30.26 70.57 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.173 0.989 . . . . 0.0 113.569 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -85.71 -33.16 21.57 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -111.95 -25.05 9.6 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -134.03 7.92 3.74 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.486 1.662 . . . . 0.0 115.486 -167.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.59 116.4 13.93 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 124.693 1.197 . . . . 0.0 111.946 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -83.06 62.1 7.55 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 124.041 3.161 . . . . 0.0 113.576 -168.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -152.4 148.0 26.94 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.961 1.704 . . . . 0.0 110.919 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.819 2.048 . . . . 0.0 112.608 179.778 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.28 127.48 32.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.629 1.172 . . . . 0.0 110.664 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -80.02 -8.18 59.22 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.567 0.747 . . . . 0.0 112.995 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -101.58 -48.2 4.4 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.803 1.241 . . . . 0.0 112.503 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -120.46 5.1 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -175.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 62.43 15.73 8.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.745 2.018 . . . . 0.0 115.432 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.77 168.35 16.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.24 169.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.61 147.36 52.28 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.055 1.342 . . . . 0.0 112.863 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -138.23 148.95 45.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.177 1.791 . . . . 0.0 110.899 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -77.96 -4.62 47.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -153.09 163.26 40.18 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.446 1.898 . . . . 0.0 111.445 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 p -75.21 -28.48 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -73.53 -41.94 62.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.093 -1.004 . . . . 0.0 111.6 -171.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -66.49 -32.16 73.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.492 0.717 . . . . 0.0 112.237 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.41 -42.6 87.58 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.681 0.673 . . . . 0.0 112.202 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.77 -41.95 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 120.982 -1.074 . . . . 0.0 110.789 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.24 -43.13 99.38 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.614 -0.679 . . . . 0.0 112.078 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -58.67 -46.18 87.76 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.609 0.763 . . . . 0.0 112.285 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -48.67 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.569 0.747 . . . . 0.0 110.445 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -65.19 -30.52 71.43 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.05 -39.51 25.65 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 40.2 mtp -107.56 -21.91 12.72 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -170.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -169.884 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.12 155.36 28.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.721 1.609 . . . . 0.0 112.28 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -107.47 -4.26 18.64 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.003 1.721 . . . . 0.0 113.172 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.25 -30.46 5.6 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.065 1.346 . . . . 0.0 113.086 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -133.03 1.64 3.56 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.07 15.77 3.41 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.431 2.292 . . . . 0.0 116.551 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -67.48 150.55 48.73 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.677 1.191 . . . . 0.0 111.965 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -97.74 142.86 29.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.714 1.606 . . . . 0.0 112.384 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -134.16 152.34 51.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.552 1.941 . . . . 0.0 111.007 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -86.21 -6.78 58.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -147.85 141.58 25.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.389 1.476 . . . . 0.0 112.019 -173.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.54 -35.55 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.3 -37.39 66.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.148 0.886 . . . . 0.0 111.049 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -63.89 -37.23 86.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.395 1.078 . . . . 0.0 111.89 169.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.84 -42.47 90.46 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.753 0.706 . . . . 0.0 112.344 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.67 -38.88 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 121.155 -0.965 . . . . 0.0 110.556 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.47 -45.01 96.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.758 0.823 . . . . 0.0 111.876 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -56.7 -49.09 76.18 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.557 0.743 . . . . 0.0 111.652 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.05 -49.68 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.616 0.766 . . . . 0.0 110.927 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -74.7 -19.75 60.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -87.77 -36.35 17.36 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.98 -28.97 12.45 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 . . . . . 0 N--CA 1.476 0.829 0 C-N-CA 124.173 0.989 . . . . 0.0 113.546 -169.073 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.7 p80 . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -66.75 153.96 41.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.871 1.668 . . . . 0.0 111.904 171.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -105.45 -9.03 17.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.596 1.559 . . . . 0.0 113.727 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -107.96 -30.92 8.2 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.829 1.252 . . . . 0.0 113.15 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -135.92 1.07 2.72 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.3 1.44 . . . . 0.0 114.645 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.43 17.59 6.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.174 2.19 . . . . 0.0 116.825 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.6 157.13 24.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.169 0.895 . . . . 0.0 111.51 168.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.35 144.22 40.9 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.916 1.687 . . . . 0.0 112.14 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.3 141.35 37.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.58 1.552 . . . . 0.0 111.638 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -67.89 -15.14 63.48 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -173.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.56 163.05 39.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.864 1.665 . . . . 0.0 111.977 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.75 -28.53 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.772 0.829 . . . . 0.0 113.123 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.97 -40.49 62.96 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.516 -0.74 . . . . 0.0 111.317 -173.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -66.51 -34.72 78.55 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.761 0.824 . . . . 0.0 112.084 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.06 -47.03 81.74 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.663 0.665 . . . . 0.0 111.91 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.01 -41.43 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.32 -0.863 . . . . 0.0 110.753 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.03 -44.23 97.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.446 0.698 . . . . 0.0 111.893 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -57.55 -47.09 82.98 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.759 0.823 . . . . 0.0 112.254 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.83 -47.59 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.144 0.577 . . . . 0.0 110.143 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.26 -30.06 70.9 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.104 0.962 . . . . 0.0 113.342 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.42 -40.2 30.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mtp -112.22 -18.89 12.43 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -168.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 N--CA 1.476 0.864 0 CA-C-N 119.503 1.047 . . . . 0.0 113.632 -171.65 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.13 135.31 54.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.087 1.355 . . . . 0.0 112.665 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -70.4 -28.94 65.47 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.285 1.034 . . . . 0.0 112.062 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -100.12 -33.43 10.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 113.679 -169.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.4 6.65 3.83 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.65 13.42 3.4 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.36 2.264 . . . . 0.0 116.683 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -68.03 148.9 50.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.289 1.036 . . . . 0.0 111.507 172.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -93.54 144.64 25.17 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.701 1.6 . . . . 0.0 112.439 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -138.7 135.25 34.58 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.774 1.63 . . . . 0.0 112.045 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -10.76 59.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.2 141.59 25.27 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.819 1.248 . . . . 0.0 111.349 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.36 -33.8 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.35 -34.6 68.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.152 0.887 . . . . 0.0 111.235 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -66.27 -38.79 88.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.855 0.862 . . . . 0.0 111.083 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.25 -42.37 96.54 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.537 -0.727 . . . . 0.0 112.339 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.93 -42.29 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.014 -1.054 . . . . 0.0 110.687 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.94 -43.06 99.21 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.482 0.713 . . . . 0.0 112.254 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.26 -46.62 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.831 0.742 . . . . 0.0 112.002 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.03 -48.41 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.653 -0.655 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -68.59 -25.11 64.71 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -86.28 -34.5 20.35 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -108.68 -25.52 10.81 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -171.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.671 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.3 m80 . . . . . 0 CA--C 1.538 0.503 0 CA-C-O 120.269 0.081 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.49 154.93 16.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.828 1.651 . . . . 0.0 113.956 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -84.03 -23.77 30.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.509 1.924 . . . . 0.0 112.66 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -119.93 -25.33 5.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -130.28 0.48 4.6 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 56.61 10.61 0.73 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.602 2.361 . . . . 0.0 116.425 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.72 149.83 48.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.474 1.11 . . . . 0.0 111.71 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -95.8 143.46 27.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.874 1.27 . . . . 0.0 112.565 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.87 157.57 37.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.648 1.579 . . . . 0.0 111.225 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -82.56 -11.64 58.29 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -150.16 142.86 24.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.758 1.623 . . . . 0.0 111.364 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.82 -33.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 113.204 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -74.35 -40.04 62.4 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.527 -0.733 . . . . 0.0 109.848 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -64.82 -36.58 84.78 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.21 1.404 . . . . 0.0 111.993 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.21 -42.1 93.82 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.063 0.847 . . . . 0.0 112.162 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.372 -0.83 . . . . 0.0 110.201 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -62.22 -38.41 89.09 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.303 -0.873 . . . . 0.0 112.613 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -58.5 -42.96 88.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.773 0.829 . . . . 0.0 111.648 169.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.33 -40.7 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.401 -0.812 . . . . 0.0 111.154 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -68.86 -23.91 64.29 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.93 -35.16 13.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.13 0.972 . . . . 0.0 113.456 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.01 -24.03 10.16 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -172.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -168.381 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -66.89 134.58 52.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.4 1.08 . . . . 0.0 111.702 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.4 -22.1 52.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.117 0.967 . . . . 0.0 112.656 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -103.42 -34.52 8.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.56 1.144 . . . . 0.0 113.597 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -132.65 7.0 4.09 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 59.04 18.94 6.76 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 127.033 2.133 . . . . 0.0 116.103 169.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.5 161.03 30.33 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.712 1.205 . . . . 0.0 111.9 170.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -114.03 141.99 46.74 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.838 1.655 . . . . 0.0 112.212 -169.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -136.62 154.66 50.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.018 1.727 . . . . 0.0 111.683 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 m -87.66 -8.78 55.72 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -154.74 162.35 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.904 1.682 . . . . 0.0 111.742 -175.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.6 -27.89 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.34 -41.78 55.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.362 -0.836 . . . . 0.0 111.57 -171.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -66.53 -33.94 76.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.624 0.77 . . . . 0.0 112.276 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.87 -47.29 81.26 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.607 0.64 . . . . 0.0 111.761 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.31 -42.08 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.826 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.35 -42.64 96.13 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.722 0.809 . . . . 0.0 111.98 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -59.96 -46.91 87.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.74 0.816 . . . . 0.0 111.987 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.41 -45.09 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.576 -0.702 . . . . 0.0 110.7 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -30.24 71.25 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.151 0.98 . . . . 0.0 113.476 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -87.52 -33.83 18.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.826 1.046 . . . . 0.0 113.826 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.0 -25.43 9.39 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -168.227 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.3 p80 . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.2 145.56 55.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.756 1.622 . . . . 0.0 111.978 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -12.84 35.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.901 1.681 . . . . 0.0 112.599 175.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -117.34 -29.34 5.88 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -135.73 6.72 3.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 57.67 15.59 2.97 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 127.757 2.423 . . . . 0.0 117.321 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -69.32 160.62 30.93 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.461 1.104 . . . . 0.0 111.632 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -114.33 148.53 37.43 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.289 1.436 . . . . 0.0 113.288 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -136.35 159.46 41.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.783 2.033 . . . . 0.0 111.131 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -79.97 -13.68 59.16 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -156.32 163.61 39.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.712 1.605 . . . . 0.0 112.021 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.28 -28.87 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -75.38 -43.56 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.17 -0.956 . . . . 0.0 111.239 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -66.53 -31.43 72.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.471 0.709 . . . . 0.0 112.313 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.46 -45.16 88.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.56 0.618 . . . . 0.0 112.016 170.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.5 -42.16 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.126 -0.984 . . . . 0.0 110.671 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.57 -43.1 93.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.838 0.744 . . . . 0.0 112.057 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -58.15 -48.89 78.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.733 0.697 . . . . 0.0 111.628 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.69 -46.23 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.284 0.634 . . . . 0.0 110.994 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -70.69 -30.51 67.1 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -82.48 -33.62 28.32 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.15 -27.2 11.73 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -168.637 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.6 p80 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 120.737 0.303 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.19 145.62 50.48 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.093 0.949 . . . . 0.0 111.392 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -102.1 2.47 37.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.046 1.739 . . . . 0.0 112.201 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -126.74 -29.42 2.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.545 1.538 . . . . 0.0 113.441 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -133.72 8.7 3.88 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 58.49 12.66 2.16 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.12 142.74 55.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.581 1.152 . . . . 0.0 111.677 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -77.54 139.87 39.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.427 1.091 . . . . 0.0 111.301 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.41 141.39 49.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.578 1.551 . . . . 0.0 112.582 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -70.26 -26.05 63.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.362 1.465 . . . . 0.0 114.197 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -153.04 147.37 25.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.833 1.253 . . . . 0.0 112.008 -175.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.54 -34.09 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -75.36 -37.67 60.49 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.601 1.091 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.38 -41.46 89.41 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 111.002 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.03 -41.45 90.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.438 -0.789 . . . . 0.0 112.766 173.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.71 -38.64 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.725 1.148 . . . . 0.0 110.824 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.438 0.695 . . . . 0.0 111.97 171.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.69 -46.43 89.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.937 0.789 . . . . 0.0 112.286 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.21 -48.4 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 110.307 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.19 -26.93 66.87 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -83.11 -39.26 21.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 mtp -108.76 -19.78 13.3 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -170.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 . . . . . 0 N--CA 1.475 0.781 0 CA-C-N 119.331 0.969 . . . . 0.0 113.457 -171.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.2 136.17 53.18 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.867 1.667 . . . . 0.0 112.445 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -77.33 -19.3 56.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.292 1.437 . . . . 0.0 112.657 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -110.84 -29.82 7.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -136.83 8.96 3.05 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 59.02 14.49 3.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 169.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -66.83 156.25 36.11 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.641 1.177 . . . . 0.0 111.449 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -124.35 141.21 52.25 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.183 1.393 . . . . 0.0 112.147 -170.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.95 144.53 39.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.767 1.627 . . . . 0.0 111.473 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 m -84.02 2.59 38.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -146.42 138.08 24.69 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.934 1.694 . . . . 0.0 111.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -71.35 -32.98 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.55 -36.9 65.7 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.406 -0.809 . . . . 0.0 111.298 -175.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -63.06 -39.8 95.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.335 1.054 . . . . 0.0 111.89 169.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.74 -45.46 89.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.563 0.62 . . . . 0.0 111.843 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.79 -42.04 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 110.808 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.6 -42.73 98.23 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.487 -0.758 . . . . 0.0 111.997 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -56.12 -46.49 79.14 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.229 0.922 . . . . 0.0 111.488 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.91 -48.15 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.598 0.759 . . . . 0.0 110.294 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -63.89 -33.22 75.22 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.78 1.232 . . . . 0.0 113.45 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.9 -35.63 32.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.888 0.875 . . . . 0.0 113.204 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtp -112.03 -19.79 12.2 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -170.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 . . . . . 0 N--CA 1.476 0.85 0 CA-C-N 119.234 0.925 . . . . 0.0 113.405 -172.806 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.532 0.682 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.24 149.81 32.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.136 1.374 . . . . 0.0 111.687 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -109.51 5.55 23.31 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.149 1.779 . . . . 0.0 113.271 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -120.54 -32.13 4.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.481 1.512 . . . . 0.0 112.833 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -136.59 9.12 3.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 59.42 10.79 1.96 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 118.028 2.603 . . . . 0.0 118.028 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -70.63 148.95 47.53 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.386 1.074 . . . . 0.0 112.393 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -91.34 147.92 22.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.654 1.582 . . . . 0.0 112.648 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.19 154.06 51.74 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.167 1.787 . . . . 0.0 111.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 m -83.01 -11.68 57.91 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -152.55 145.44 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.244 1.417 . . . . 0.0 111.973 -172.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.03 -32.87 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -75.51 -36.82 60.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.25 0.932 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.18 -38.09 89.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.604 0.762 . . . . 0.0 111.848 170.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.17 -41.56 97.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.485 0.714 . . . . 0.0 112.487 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.402 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -64.16 -33.46 75.84 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.071 -1.018 . . . . 0.0 112.869 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -61.04 -43.04 99.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.311 0.959 . . . . 0.0 111.322 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.0 -41.32 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.473 -0.767 . . . . 0.0 110.832 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -61.46 -32.42 72.41 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.04 -35.11 16.54 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.63 -24.75 9.48 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -170.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 114.663 1.356 . . . . 0.0 114.663 -167.55 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 120.4 0.143 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.79 135.89 57.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.582 0.753 . . . . 0.0 111.725 170.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -73.26 -22.36 60.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.16 1.384 . . . . 0.0 112.695 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -114.49 -28.82 7.05 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.12 10.82 4.59 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.31 8.49 1.15 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.979 2.512 . . . . 0.0 117.657 169.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -66.27 142.67 57.6 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 111.871 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -73.59 148.19 43.16 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 111.394 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -132.68 152.96 51.56 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.1 p -89.0 -19.37 25.77 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.977 1.711 . . . . 0.0 115.284 -171.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.88 147.85 27.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.35 1.46 . . . . 0.0 109.981 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.56 -35.11 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.533 -0.73 . . . . 0.0 112.293 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -74.75 -33.79 62.4 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.635 -0.666 . . . . 0.0 111.309 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.0 -39.99 87.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.67 1.188 . . . . 0.0 111.093 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.41 -46.1 90.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.508 1.123 . . . . 0.0 112.194 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.35 -40.07 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.368 -0.833 . . . . 0.0 110.887 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -42.94 98.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.797 0.839 . . . . 0.0 111.948 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -58.79 -46.49 87.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.083 173.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.72 -43.89 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.271 0.629 . . . . 0.0 110.962 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.2 mtp-105 -69.98 -21.82 63.2 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -90.6 -40.7 11.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.311 1.044 . . . . 0.0 113.641 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtp -107.32 -20.64 13.21 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 125.137 1.375 . . . . 0.0 111.841 -170.094 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.24 124.95 25.19 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.566 0.746 . . . . 0.0 109.997 169.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -71.64 -19.87 62.04 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 111.644 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -104.33 -33.14 8.75 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.992 1.317 . . . . 0.0 114.014 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 p -133.63 11.17 4.05 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.88 14.77 5.45 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.983 2.513 . . . . 0.0 117.717 167.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -73.84 171.14 13.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.659 1.583 . . . . 0.0 111.459 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 137.81 48.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.161 1.384 . . . . 0.0 112.101 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -114.09 165.43 12.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.489 1.516 . . . . 0.0 113.537 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 p -72.88 -27.17 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.055 1.342 . . . . 0.0 114.143 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.64 153.69 32.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.893 1.677 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -57.81 -35.78 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.297 -0.877 . . . . 0.0 111.739 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -71.4 -12.08 61.22 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.361 -0.837 . . . . 0.0 112.894 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -95.82 -30.78 13.5 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.243 1.417 . . . . 0.0 111.866 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.49 -41.71 94.81 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.542 -0.724 . . . . 0.0 111.662 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.24 -34.86 69.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 120.965 -1.084 . . . . 0.0 111.852 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -64.42 -37.54 87.9 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.357 0.981 . . . . 0.0 112.028 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -64.07 -49.16 73.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.043 0.537 . . . . 0.0 111.564 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.58 -48.0 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.84 0.746 . . . . 0.0 110.991 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -67.77 -24.43 65.33 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.25 -36.1 12.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.386 1.074 . . . . 0.0 113.514 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.3 mmm -101.47 -25.75 13.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -172.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -169.601 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 . . . . . 0 CA--C 1.539 0.535 0 CA-C-O 119.956 -0.068 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 25' ' ' LEU . 42.3 t -62.63 136.62 57.97 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.745 0.783 . . . . 0.0 112.395 176.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -72.5 -11.52 60.7 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.923 1.289 . . . . 0.0 112.99 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.25 -28.92 3.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.917 1.287 . . . . 0.0 114.047 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -137.14 10.6 3.03 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 58.69 6.62 0.63 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -63.49 149.42 46.17 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.82 1.191 . . . . 0.0 112.208 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.94 137.55 32.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.023 1.329 . . . . 0.0 113.037 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -135.76 149.29 49.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.459 1.904 . . . . 0.0 111.757 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 p -74.41 -23.49 58.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -173.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -151.91 154.7 36.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.057 1.743 . . . . 0.0 110.382 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -57.8 -36.29 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.594 -0.691 . . . . 0.0 112.737 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.58 -30.82 64.73 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.891 1.223 . . . . 0.0 112.176 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -67.12 -34.86 78.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.669 0.788 . . . . 0.0 110.874 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 12' ' ' CYS . 56.3 tp -69.4 -38.94 78.18 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.579 169.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.99 -42.96 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 120.233 1.379 . . . . 0.0 110.062 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -60.19 -45.15 94.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.817 0.847 . . . . 0.0 112.116 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -59.28 -46.35 88.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.714 0.688 . . . . 0.0 112.389 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.1 -48.09 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.458 0.703 . . . . 0.0 110.455 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.86 -28.58 69.07 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -83.21 -38.4 22.32 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.3 mtp -112.09 -17.83 12.73 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -169.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 . . . . . 0 N--CA 1.474 0.762 0 CA-C-N 119.659 1.118 . . . . 0.0 113.782 -173.68 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.26 148.36 41.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.012 1.325 . . . . 0.0 111.668 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -88.43 -23.59 23.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 112.433 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -110.64 -28.51 8.44 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p -132.31 6.42 4.16 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp 59.07 12.79 2.58 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.19 2.596 . . . . 0.0 117.569 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -67.68 148.97 50.61 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.423 1.089 . . . . 0.0 112.141 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -91.6 148.69 22.09 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.907 1.683 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -135.28 152.38 51.45 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.8 p -78.04 -23.38 48.19 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.229 1.411 . . . . 0.0 114.547 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -154.03 153.16 31.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.403 1.481 . . . . 0.0 110.953 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.01 -33.31 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 121.484 -0.76 . . . . 0.0 112.551 178.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -71.42 -34.6 70.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.779 -0.576 . . . . 0.0 111.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.0 -37.74 78.87 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.847 0.859 . . . . 0.0 111.717 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.75 -48.3 79.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.278 0.631 . . . . 0.0 111.971 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.1 mt -65.05 -40.97 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.865 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -58.4 -42.83 88.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.621 1.168 . . . . 0.0 112.191 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -61.2 -47.87 84.13 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.438 0.695 . . . . 0.0 112.324 173.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.09 -42.59 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.644 -0.66 . . . . 0.0 110.947 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -69.58 -21.24 63.62 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -90.02 -38.48 13.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.043 0.937 . . . . 0.0 113.439 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.0 mtp -112.39 -20.2 11.89 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 124.446 1.099 . . . . 0.0 113.501 -169.231 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 p80 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.0 147.46 53.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.053 1.341 . . . . 0.0 111.056 169.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -96.72 -15.22 21.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.975 1.31 . . . . 0.0 113.371 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -102.03 -36.76 8.47 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.787 1.235 . . . . 0.0 112.751 -174.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -130.91 6.52 4.65 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.29 1.436 . . . . 0.0 114.668 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 58.59 17.16 4.78 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.614 2.366 . . . . 0.0 117.178 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -68.84 160.33 30.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.676 1.191 . . . . 0.0 111.957 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -115.91 145.48 42.86 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.727 1.611 . . . . 0.0 112.722 -171.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -139.46 145.96 39.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.932 1.693 . . . . 0.0 112.432 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -81.21 -13.0 59.01 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.199 1.0 . . . . 0.0 113.595 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -148.23 142.17 25.84 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.838 1.255 . . . . 0.0 112.277 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.07 -31.95 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -74.74 -36.6 62.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.135 0.88 . . . . 0.0 110.333 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.62 -37.41 87.24 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.504 0.722 . . . . 0.0 112.401 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.97 -46.27 89.98 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.787 0.721 . . . . 0.0 111.56 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.46 -44.25 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.238 -0.914 . . . . 0.0 110.831 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -59.19 -41.15 87.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.551 1.14 . . . . 0.0 112.436 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -60.57 -43.42 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.303 0.641 . . . . 0.0 111.868 171.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.46 -40.33 88.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.541 -0.724 . . . . 0.0 110.966 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -62.59 -34.86 77.84 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.921 1.237 . . . . 0.0 112.981 173.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.77 -35.86 22.12 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -112.25 -24.41 9.84 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -171.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 . . . . . 0 CA--C 1.548 0.87 0 C-N-CA 124.79 1.236 . . . . 0.0 112.288 -168.732 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.08 141.62 58.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.717 1.207 . . . . 0.0 113.846 -169.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.89 -16.4 58.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.275 1.43 . . . . 0.0 112.925 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -117.71 -32.26 4.9 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.566 1.146 . . . . 0.0 113.845 -169.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.4 p -134.47 3.62 3.34 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 57.3 18.34 4.25 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.261 2.224 . . . . 0.0 116.641 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.9 150.7 36.76 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.269 -0.894 . . . . 0.0 111.642 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -104.96 140.52 38.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.376 1.87 . . . . 0.0 113.172 -170.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -139.41 153.4 47.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.753 1.621 . . . . 0.0 112.963 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.2 p -88.45 -17.04 31.25 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 114.204 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -148.71 147.13 28.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.245 1.418 . . . . 0.0 111.56 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.18 -34.69 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.19 -35.25 71.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 111.468 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -64.53 -38.97 92.87 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.927 0.891 . . . . 0.0 111.193 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.14 -41.65 81.32 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 173.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.25 -41.88 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.743 1.156 . . . . 0.0 110.744 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -61.52 -38.32 86.95 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.467 0.707 . . . . 0.0 112.421 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -49.6 73.18 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.703 0.683 . . . . 0.0 112.077 171.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.94 -44.19 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.757 0.823 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.62 -6.19 52.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -99.15 -33.34 10.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.0 mmm -112.13 -25.13 9.49 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -171.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 124.803 1.241 . . . . 0.0 113.976 -168.637 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m170 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.28 142.56 55.53 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.516 1.526 . . . . 0.0 111.996 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -86.14 -23.28 26.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.783 1.233 . . . . 0.0 112.426 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -103.14 -34.3 8.9 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.682 1.193 . . . . 0.0 113.212 -169.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -133.31 4.7 3.73 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.64 12.14 3.49 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.322 2.249 . . . . 0.0 116.262 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -65.94 164.15 15.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.676 1.19 . . . . 0.0 111.331 169.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -132.75 142.56 49.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 113.276 -166.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -136.19 148.77 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.186 1.795 . . . . 0.0 111.237 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -80.45 -2.13 44.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.51 144.83 25.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.058 1.743 . . . . 0.0 111.374 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.61 -30.73 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -37.8 80.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.652 1.114 . . . . 0.0 110.54 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -62.64 -42.1 99.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.501 1.12 . . . . 0.0 111.959 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -64.68 -42.29 95.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.79 0.723 . . . . 0.0 112.144 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.72 -44.03 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.139 -0.976 . . . . 0.0 110.244 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -64.89 -36.15 83.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.261 0.937 . . . . 0.0 112.597 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -59.38 -43.95 92.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.044 0.838 . . . . 0.0 111.395 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -63.38 -43.12 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.696 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -60.91 -34.78 75.2 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.373 0.988 . . . . 0.0 113.447 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.21 -34.56 22.01 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.37 -26.57 8.67 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.358 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.0 p80 . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 121.353 0.597 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.81 145.61 55.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.217 1.407 . . . . 0.0 111.377 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -93.46 -19.22 21.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.03 0.932 . . . . 0.0 113.312 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.38 -45.45 9.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.975 0.91 . . . . 0.0 112.043 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.11 2.99 9.88 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.126 1.37 . . . . 0.0 114.624 -176.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.9 11.62 3.38 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.3 150.01 48.75 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.172 -0.955 . . . . 0.0 112.042 172.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -97.0 147.96 23.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 112.292 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -136.19 161.42 35.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.232 1.813 . . . . 0.0 111.767 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -42.07 16.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 0.0 112.597 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.04 147.53 52.45 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.111 1.364 . . . . 0.0 112.151 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.51 -34.95 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.266 0.626 . . . . 0.0 112.413 -175.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -66.9 -38.44 86.25 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.826 -0.546 . . . . 0.0 111.847 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.54 -37.64 71.11 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.189 0.995 . . . . 0.0 111.342 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.92 -42.02 98.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.698 0.799 . . . . 0.0 112.261 171.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.53 -42.27 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.179 -0.95 . . . . 0.0 110.663 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.03 -37.39 84.71 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.154 0.888 . . . . 0.0 112.643 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -60.63 -48.94 79.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.623 170.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.93 -44.53 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.432 0.693 . . . . 0.0 110.902 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -72.21 -11.12 60.58 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -102.02 -33.61 9.65 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.449 1.099 . . . . 0.0 113.225 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.6 mmm -110.93 -25.41 9.84 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 . . . . . 0 CA--C 1.548 0.883 0 C-N-CA 124.658 1.183 . . . . 0.0 113.339 -168.341 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.18 136.45 55.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.549 1.54 . . . . 0.0 112.402 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -7.76 59.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.676 1.59 . . . . 0.0 112.878 176.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -124.79 -28.82 3.47 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -136.76 11.66 3.15 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 58.74 12.44 2.23 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 169.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -70.03 166.92 18.7 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.511 1.124 . . . . 0.0 112.281 171.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 157.33 45.22 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -134.82 162.39 32.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.526 1.131 . . . . 0.0 113.597 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.2 p -89.83 -14.86 33.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.674 1.59 . . . . 0.0 114.021 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -150.37 152.63 34.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.795 1.638 . . . . 0.0 109.891 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.74 -28.75 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.908 0.883 . . . . 0.0 113.054 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.432 ' H ' ' HD2' ' A' ' 23' ' ' LYS . 4.4 mptt -68.68 -34.25 75.35 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.543 -0.723 . . . . 0.0 111.54 -175.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.1 -37.96 84.81 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.957 0.903 . . . . 0.0 111.711 174.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.2 -43.19 92.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.177 0.591 . . . . 0.0 111.677 172.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -43.43 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.27 -0.894 . . . . 0.0 110.798 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.71 -39.43 91.47 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.619 0.767 . . . . 0.0 112.375 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -61.87 -46.53 89.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.834 0.854 . . . . 0.0 112.421 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.34 -43.19 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.437 -0.79 . . . . 0.0 110.438 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.39 -17.73 64.29 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.43 -39.08 9.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.571 1.148 . . . . 0.0 113.639 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.3 mtp -110.9 -20.95 12.27 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -172.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 125.126 1.37 . . . . 0.0 111.825 -169.725 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.0 p80 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 120.978 0.418 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.52 142.93 54.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.217 1.007 . . . . 0.0 111.284 169.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -89.3 -6.5 56.68 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.851 1.261 . . . . 0.0 113.192 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -124.26 -30.36 3.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.594 1.158 . . . . 0.0 113.781 -170.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.3 p -132.91 8.16 4.08 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.978 1.311 . . . . 0.0 114.502 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 57.99 15.62 3.26 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.971 2.509 . . . . 0.0 117.2 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -67.62 147.5 52.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.401 1.08 . . . . 0.0 111.941 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -86.2 140.31 30.27 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.782 1.633 . . . . 0.0 111.991 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -139.38 117.55 11.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.533 1.533 . . . . 0.0 111.324 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 m -71.49 -16.83 62.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -126.51 131.25 51.65 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 111.668 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.85 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.039 0.936 . . . . 0.0 112.958 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -72.02 -33.24 67.89 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.766 -0.584 . . . . 0.0 111.714 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -68.19 -35.95 78.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.534 0.734 . . . . 0.0 112.301 171.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.47 -52.06 67.2 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.158 0.89 . . . . 0.0 109.825 168.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.31 -38.64 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.669 -0.644 . . . . 0.0 110.457 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -56.52 -45.38 81.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.976 1.31 . . . . 0.0 112.29 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.04 -45.95 91.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.742 0.701 . . . . 0.0 112.058 174.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.77 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.756 . . . . 0.0 111.112 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.43 -30.26 70.57 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.173 0.989 . . . . 0.0 113.569 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -85.71 -33.16 21.57 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -111.95 -25.05 9.6 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 115.486 1.662 . . . . 0.0 115.486 -167.621 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 p -78.03 -20.42 52.46 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -150.86 157.1 42.5 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.67 1.588 . . . . 0.0 111.47 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.97 169.49 37.6 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.983 1.277 . . . . 0.0 113.448 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -80.41 40.0 0.48 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.57 1.548 . . . . 0.0 113.782 -175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 m -74.57 147.15 41.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.996 1.318 . . . . 0.0 112.791 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.57 12.21 80.37 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.217 1.247 . . . . 0.0 116.217 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 pt -75.62 -15.93 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 118.86 1.33 . . . . 0.0 114.348 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -73.51 149.67 42.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.578 1.151 . . . . 0.0 112.278 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -128.52 161.35 29.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.591 1.557 . . . . 0.0 112.268 -169.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -129.35 148.62 51.29 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.505 1.122 . . . . 0.0 112.885 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.28 127.48 32.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.629 1.172 . . . . 0.0 110.664 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -80.02 -8.18 59.22 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.567 0.747 . . . . 0.0 112.995 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -101.58 -48.2 4.4 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.803 1.241 . . . . 0.0 112.503 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -120.46 5.1 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -175.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 62.43 15.73 8.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.745 2.018 . . . . 0.0 115.432 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -70.77 168.35 16.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.24 169.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.61 147.36 52.28 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.055 1.342 . . . . 0.0 112.863 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -138.23 148.95 45.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.177 1.791 . . . . 0.0 110.899 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -77.96 -4.62 47.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -153.09 163.26 40.18 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.446 1.898 . . . . 0.0 111.445 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 p -75.21 -28.48 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -73.53 -41.94 62.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.093 -1.004 . . . . 0.0 111.6 -171.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -66.49 -32.16 73.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.492 0.717 . . . . 0.0 112.237 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.41 -42.6 87.58 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.681 0.673 . . . . 0.0 112.202 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.77 -41.95 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 120.982 -1.074 . . . . 0.0 110.789 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.24 -43.13 99.38 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.614 -0.679 . . . . 0.0 112.078 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -58.67 -46.18 87.76 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.609 0.763 . . . . 0.0 112.285 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -48.67 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.569 0.747 . . . . 0.0 110.445 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -65.19 -30.52 71.43 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.05 -39.51 25.65 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 40.2 mtp -107.56 -21.91 12.72 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -170.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -129.41 -40.68 1.42 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -169.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 39.28 72.84 0.89 Allowed Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 128.049 2.539 . . . . 0.0 114.505 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -77.7 61.54 7.55 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 124.336 3.357 . . . . 0.0 112.048 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -9.78 59.56 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -171.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.576 1.951 . . . . 0.0 112.624 178.965 . . . . . . . . 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 1.478 1.444 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -76.35 162.67 27.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.93 1.292 . . . . 0.0 113.095 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -146.67 153.21 40.03 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.039 1.335 . . . . 0.0 111.74 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.03 168.43 29.47 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.11 1.338 . . . . 0.0 114.378 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -133.69 -16.1 2.34 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -175.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p -86.94 -9.81 54.75 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.335 1.454 . . . . 0.0 114.369 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 -158.68 26.43 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.427 1.489 . . . . 0.0 112.598 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.0 tt -136.04 145.61 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.509 1.524 . . . . 0.0 111.192 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -146.85 155.88 42.68 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.702 1.601 . . . . 0.0 112.36 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -139.0 159.69 41.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.135 2.174 . . . . 0.0 109.202 172.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -136.7 153.1 50.98 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.12 155.36 28.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.721 1.609 . . . . 0.0 112.28 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -107.47 -4.26 18.64 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.003 1.721 . . . . 0.0 113.172 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.25 -30.46 5.6 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.065 1.346 . . . . 0.0 113.086 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -133.03 1.64 3.56 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.07 15.77 3.41 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.431 2.292 . . . . 0.0 116.551 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -67.48 150.55 48.73 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.677 1.191 . . . . 0.0 111.965 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -97.74 142.86 29.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.714 1.606 . . . . 0.0 112.384 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -134.16 152.34 51.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.552 1.941 . . . . 0.0 111.007 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -86.21 -6.78 58.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -147.85 141.58 25.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.389 1.476 . . . . 0.0 112.019 -173.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.54 -35.55 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.3 -37.39 66.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.148 0.886 . . . . 0.0 111.049 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -63.89 -37.23 86.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.395 1.078 . . . . 0.0 111.89 169.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.84 -42.47 90.46 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.753 0.706 . . . . 0.0 112.344 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.67 -38.88 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 121.155 -0.965 . . . . 0.0 110.556 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.47 -45.01 96.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.758 0.823 . . . . 0.0 111.876 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -56.7 -49.09 76.18 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.557 0.743 . . . . 0.0 111.652 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.05 -49.68 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.616 0.766 . . . . 0.0 110.927 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -74.7 -19.75 60.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -87.77 -36.35 17.36 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.98 -28.97 12.45 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -127.61 -33.02 2.34 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.173 0.989 . . . . 0.0 113.546 -169.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t0 44.99 60.2 13.3 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.766 2.427 . . . . 0.0 115.302 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -66.66 157.0 63.14 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.405 2.736 . . . . 0.0 112.0 173.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -79.39 42.26 0.5 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.903 1.681 . . . . 0.0 113.188 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.517 1.927 . . . . 0.0 112.942 178.991 . . . . . . . . 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 1.479 1.562 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -71.95 152.95 42.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.647 1.179 . . . . 0.0 113.155 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -120.92 13.58 11.43 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.171 1.389 . . . . 0.0 114.218 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.47 155.02 52.96 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.393 0.997 . . . . 0.0 114.038 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -68.11 136.34 53.57 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.536 1.134 . . . . 0.0 112.893 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -71.94 -17.01 62.11 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -171.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.04 75.86 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-O 119.202 -0.776 . . . . 0.0 114.464 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.27 0.5 OUTLIER 58.82 -41.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 130.307 3.443 . . . . 0.0 117.399 174.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -84.99 157.31 20.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.788 1.635 . . . . 0.0 113.344 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -86.77 157.03 19.69 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.052 1.341 . . . . 0.0 110.458 173.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -138.33 153.58 48.98 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -66.75 153.96 41.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.871 1.668 . . . . 0.0 111.904 171.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -105.45 -9.03 17.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.596 1.559 . . . . 0.0 113.727 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -107.96 -30.92 8.2 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.829 1.252 . . . . 0.0 113.15 -176.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -135.92 1.07 2.72 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.3 1.44 . . . . 0.0 114.645 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 59.43 17.59 6.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.174 2.19 . . . . 0.0 116.825 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.6 157.13 24.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.169 0.895 . . . . 0.0 111.51 168.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -111.35 144.22 40.9 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.916 1.687 . . . . 0.0 112.14 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.3 141.35 37.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.58 1.552 . . . . 0.0 111.638 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -67.89 -15.14 63.48 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -173.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.56 163.05 39.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.864 1.665 . . . . 0.0 111.977 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.75 -28.53 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.772 0.829 . . . . 0.0 113.123 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.97 -40.49 62.96 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.516 -0.74 . . . . 0.0 111.317 -173.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -66.51 -34.72 78.55 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.761 0.824 . . . . 0.0 112.084 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.06 -47.03 81.74 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.663 0.665 . . . . 0.0 111.91 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.01 -41.43 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.32 -0.863 . . . . 0.0 110.753 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.03 -44.23 97.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.446 0.698 . . . . 0.0 111.893 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -57.55 -47.09 82.98 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.759 0.823 . . . . 0.0 112.254 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.83 -47.59 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.144 0.577 . . . . 0.0 110.143 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.26 -30.06 70.9 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.104 0.962 . . . . 0.0 113.342 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.42 -40.2 30.54 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mtp -112.22 -18.89 12.43 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -168.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -129.65 -41.83 1.32 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.503 1.047 . . . . 0.0 113.632 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t0 40.8 60.3 7.67 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 127.867 2.467 . . . . 0.0 114.734 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.05 132.57 30.43 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.448 2.765 . . . . 0.0 112.238 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -95.42 -13.51 24.57 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.186 0 C-N-CA 126.413 1.885 . . . . 0.0 112.437 178.192 . . . . . . . . 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 1.479 1.559 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -77.29 157.04 30.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.725 1.21 . . . . 0.0 113.311 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -83.61 163.33 20.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.212 1.405 . . . . 0.0 113.212 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.96 168.04 41.19 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.89 1.233 . . . . 0.0 113.094 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -71.81 -36.74 70.36 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.641 0.776 . . . . 0.0 113.051 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -151.87 150.48 30.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.022 1.329 . . . . 0.0 112.168 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.16 -7.86 82.65 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.337 0.97 . . . . 0.0 115.408 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.6 pp -91.66 1.32 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -69.89 151.77 45.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.493 1.117 . . . . 0.0 112.714 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -130.12 166.92 19.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.712 1.605 . . . . 0.0 111.996 -169.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -136.95 152.71 50.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.719 0.808 . . . . 0.0 112.944 169.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.13 135.31 54.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.087 1.355 . . . . 0.0 112.665 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -70.4 -28.94 65.47 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.285 1.034 . . . . 0.0 112.062 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -100.12 -33.43 10.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 113.679 -169.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.4 6.65 3.83 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.65 13.42 3.4 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.36 2.264 . . . . 0.0 116.683 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -68.03 148.9 50.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.289 1.036 . . . . 0.0 111.507 172.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -93.54 144.64 25.17 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.701 1.6 . . . . 0.0 112.439 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -138.7 135.25 34.58 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.774 1.63 . . . . 0.0 112.045 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -10.76 59.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.2 141.59 25.27 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.819 1.248 . . . . 0.0 111.349 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.36 -33.8 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.35 -34.6 68.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.152 0.887 . . . . 0.0 111.235 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -66.27 -38.79 88.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.855 0.862 . . . . 0.0 111.083 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.25 -42.37 96.54 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.537 -0.727 . . . . 0.0 112.339 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.93 -42.29 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.014 -1.054 . . . . 0.0 110.687 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.94 -43.06 99.21 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.482 0.713 . . . . 0.0 112.254 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.26 -46.62 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.831 0.742 . . . . 0.0 112.002 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.03 -48.41 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.653 -0.655 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -68.59 -25.11 64.71 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -86.28 -34.5 20.35 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -108.68 -25.52 10.81 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -171.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -128.05 -38.49 1.81 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.2 t0 41.82 61.27 8.38 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 127.941 2.496 . . . . 0.0 114.928 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -64.75 140.42 67.53 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.43 2.753 . . . . 0.0 112.208 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -133.12 0.68 3.45 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -174.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.14 1.776 . . . . 0.0 112.633 -178.283 . . . . . . . . 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 1.48 1.584 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p -95.19 7.15 47.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.812 1.645 . . . . 0.0 114.78 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -125.77 176.34 6.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.66 1.984 . . . . 0.0 112.393 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.21 -102.35 0.78 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.249 0.928 . . . . 0.0 112.462 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 m -69.02 -13.29 62.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.588 1.155 . . . . 0.0 113.59 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -119.88 167.55 12.01 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.358 1.863 . . . . 0.0 112.014 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.02 -172.04 55.17 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.031 1.301 . . . . 0.0 114.65 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.42 136.53 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.882 1.273 . . . . 0.0 111.813 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -107.09 148.94 28.17 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.398 1.479 . . . . 0.0 112.532 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -103.79 27.13 7.8 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.112 1.365 . . . . 0.0 112.206 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -105.95 144.46 32.63 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.824 1.65 . . . . 0.0 110.924 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.49 154.93 16.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.828 1.651 . . . . 0.0 113.956 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -84.03 -23.77 30.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.509 1.924 . . . . 0.0 112.66 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -119.93 -25.33 5.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -130.28 0.48 4.6 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 56.61 10.61 0.73 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.602 2.361 . . . . 0.0 116.425 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.72 149.83 48.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.474 1.11 . . . . 0.0 111.71 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -95.8 143.46 27.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.874 1.27 . . . . 0.0 112.565 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.87 157.57 37.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.648 1.579 . . . . 0.0 111.225 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -82.56 -11.64 58.29 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -150.16 142.86 24.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.758 1.623 . . . . 0.0 111.364 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.82 -33.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 113.204 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -74.35 -40.04 62.4 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.527 -0.733 . . . . 0.0 109.848 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -64.82 -36.58 84.78 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.21 1.404 . . . . 0.0 111.993 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.21 -42.1 93.82 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.063 0.847 . . . . 0.0 112.162 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.372 -0.83 . . . . 0.0 110.201 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -62.22 -38.41 89.09 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.303 -0.873 . . . . 0.0 112.613 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -58.5 -42.96 88.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.773 0.829 . . . . 0.0 111.648 169.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.33 -40.7 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.401 -0.812 . . . . 0.0 111.154 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -68.86 -23.91 64.29 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.93 -35.16 13.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.13 0.972 . . . . 0.0 113.456 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.01 -24.03 10.16 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -172.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -135.06 24.67 3.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -168.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.16 127.46 90.99 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.124 0.97 . . . . 0.0 112.666 -171.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.39 155.07 55.92 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.235 2.624 . . . . 0.0 113.147 -175.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -140.28 140.65 35.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.128 1.771 . . . . 0.0 109.885 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.783 2.033 . . . . 0.0 112.662 179.52 . . . . . . . . 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 1.689 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -149.61 149.77 31.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.045 1.338 . . . . 0.0 111.936 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -79.32 -9.62 59.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.789 1.236 . . . . 0.0 113.453 172.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.04 170.19 38.34 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.1 1.333 . . . . 0.0 114.166 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.2 p -106.22 -2.33 22.56 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.635 1.574 . . . . 0.0 114.934 -173.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 t -71.14 148.7 47.14 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.211 1.005 . . . . 0.0 113.241 -175.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.57 3.6 62.99 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.493 1.52 . . . . 0.0 116.034 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.5 pt -77.23 40.96 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 126.3 1.84 . . . . 0.0 114.011 -174.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -0.57 17.98 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -172.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -76.35 113.33 13.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.896 1.278 . . . . 0.0 109.128 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -134.2 148.64 50.92 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.238 1.015 . . . . 0.0 111.966 -172.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -66.89 134.58 52.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.4 1.08 . . . . 0.0 111.702 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.4 -22.1 52.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.117 0.967 . . . . 0.0 112.656 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -103.42 -34.52 8.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.56 1.144 . . . . 0.0 113.597 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -132.65 7.0 4.09 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 59.04 18.94 6.76 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 127.033 2.133 . . . . 0.0 116.103 169.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.5 161.03 30.33 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.712 1.205 . . . . 0.0 111.9 170.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -114.03 141.99 46.74 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.838 1.655 . . . . 0.0 112.212 -169.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -136.62 154.66 50.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.018 1.727 . . . . 0.0 111.683 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 m -87.66 -8.78 55.72 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -154.74 162.35 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.904 1.682 . . . . 0.0 111.742 -175.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.6 -27.89 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.34 -41.78 55.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.362 -0.836 . . . . 0.0 111.57 -171.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -66.53 -33.94 76.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.624 0.77 . . . . 0.0 112.276 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.87 -47.29 81.26 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.607 0.64 . . . . 0.0 111.761 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.31 -42.08 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.826 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.35 -42.64 96.13 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.722 0.809 . . . . 0.0 111.98 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -59.96 -46.91 87.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.74 0.816 . . . . 0.0 111.987 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.41 -45.09 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.576 -0.702 . . . . 0.0 110.7 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -30.24 71.25 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.151 0.98 . . . . 0.0 113.476 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -87.52 -33.83 18.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.826 1.046 . . . . 0.0 113.826 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.0 -25.43 9.39 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -131.49 5.1 4.34 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -168.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.95 121.07 59.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.19 0.996 . . . . 0.0 111.941 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.67 125.59 11.84 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.08 2.52 . . . . 0.0 112.074 -176.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -145.51 141.23 28.11 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.259 1.824 . . . . 0.0 109.689 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.579 1.552 . . . . 0.0 113.699 177.304 . . . . . . . . 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 1.48 1.622 0 N-CA-C 112.079 -0.408 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -66.71 146.24 54.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.521 1.128 . . . . 0.0 112.949 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -151.98 150.04 29.56 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.081 1.353 . . . . 0.0 111.738 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.43 156.42 10.33 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.966 1.27 . . . . 0.0 113.404 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m -93.67 -5.87 47.62 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -80.8 44.45 0.74 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.08 1.752 . . . . 0.0 114.261 -170.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.06 151.71 52.07 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.458 1.028 . . . . 0.0 113.496 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.12 148.31 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.825 1.65 . . . . 0.0 111.157 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.39 -20.08 3.73 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -171.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -75.07 121.18 21.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.983 1.313 . . . . 0.0 109.807 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -136.53 153.51 50.98 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.2 145.56 55.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.756 1.622 . . . . 0.0 111.978 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -12.84 35.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.901 1.681 . . . . 0.0 112.599 175.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -117.34 -29.34 5.88 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -135.73 6.72 3.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 57.67 15.59 2.97 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 127.757 2.423 . . . . 0.0 117.321 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -69.32 160.62 30.93 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.461 1.104 . . . . 0.0 111.632 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -114.33 148.53 37.43 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.289 1.436 . . . . 0.0 113.288 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -136.35 159.46 41.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.783 2.033 . . . . 0.0 111.131 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 m -79.97 -13.68 59.16 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -156.32 163.61 39.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.712 1.605 . . . . 0.0 112.021 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.28 -28.87 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -75.38 -43.56 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.17 -0.956 . . . . 0.0 111.239 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -66.53 -31.43 72.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.471 0.709 . . . . 0.0 112.313 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.46 -45.16 88.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.56 0.618 . . . . 0.0 112.016 170.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.5 -42.16 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.126 -0.984 . . . . 0.0 110.671 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.57 -43.1 93.71 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.838 0.744 . . . . 0.0 112.057 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -58.15 -48.89 78.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.733 0.697 . . . . 0.0 111.628 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.69 -46.23 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.284 0.634 . . . . 0.0 110.994 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -70.69 -30.51 67.1 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -82.48 -33.62 28.32 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.15 -27.2 11.73 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -129.1 -39.65 1.54 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -168.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.6 t0 42.24 66.34 4.21 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 126.934 2.094 . . . . 0.0 114.149 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.79 139.59 58.04 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.066 2.511 . . . . 0.0 111.493 175.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -144.06 139.85 29.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.012 1.725 . . . . 0.0 109.814 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.527 1.931 . . . . 0.0 112.679 179.682 . . . . . . . . 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 1.48 1.61 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -80.5 45.4 0.77 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.439 1.496 . . . . 0.0 113.744 -174.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -63.15 111.78 2.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.054 1.342 . . . . 0.0 111.571 -175.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.35 8.04 69.63 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.388 0.994 . . . . 0.0 115.144 -174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -130.75 2.03 4.43 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.492 1.517 . . . . 0.0 114.565 -175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -66.41 146.77 54.19 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.715 1.206 . . . . 0.0 112.876 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.4 167.68 16.93 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.06 1.314 . . . . 0.0 114.779 -176.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mm -86.42 88.82 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.691 1.196 . . . . 0.0 109.117 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.01 140.55 55.62 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.054 0.942 . . . . 0.0 113.536 -171.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -151.64 178.25 9.54 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.219 1.808 . . . . 0.0 111.498 -173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -133.92 153.11 51.98 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.554 1.141 . . . . 0.0 110.463 167.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.19 145.62 50.48 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.093 0.949 . . . . 0.0 111.392 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -102.1 2.47 37.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.046 1.739 . . . . 0.0 112.201 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -126.74 -29.42 2.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.545 1.538 . . . . 0.0 113.441 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -133.72 8.7 3.88 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 58.49 12.66 2.16 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 117.696 2.48 . . . . 0.0 117.696 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.12 142.74 55.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.581 1.152 . . . . 0.0 111.677 174.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -77.54 139.87 39.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.427 1.091 . . . . 0.0 111.301 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.41 141.39 49.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.578 1.551 . . . . 0.0 112.582 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -70.26 -26.05 63.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.362 1.465 . . . . 0.0 114.197 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -153.04 147.37 25.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.833 1.253 . . . . 0.0 112.008 -175.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.54 -34.09 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -75.36 -37.67 60.49 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.601 1.091 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.38 -41.46 89.41 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 111.002 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.03 -41.45 90.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.438 -0.789 . . . . 0.0 112.766 173.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.71 -38.64 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.725 1.148 . . . . 0.0 110.824 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.438 0.695 . . . . 0.0 111.97 171.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.69 -46.43 89.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.937 0.789 . . . . 0.0 112.286 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.21 -48.4 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 110.307 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.19 -26.93 66.87 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -83.11 -39.26 21.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 mtp -108.76 -19.78 13.3 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -170.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -128.71 -41.27 1.5 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.331 0.969 . . . . 0.0 113.457 -171.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.2 t0 41.31 59.75 8.59 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 127.73 2.412 . . . . 0.0 114.008 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -64.77 128.55 21.21 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.016 3.144 . . . . 0.0 112.363 -170.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -150.08 11.49 0.73 Allowed 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -170.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.53 1.532 . . . . 0.0 113.554 -179.437 . . . . . . . . 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 1.618 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -67.96 152.58 45.31 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.656 1.183 . . . . 0.0 113.079 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -70.42 -15.69 62.86 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.57 167.86 40.97 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.843 1.687 . . . . 0.0 112.292 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -153.07 163.24 40.22 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.889 1.275 . . . . 0.0 112.815 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -133.72 150.2 51.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.054 1.742 . . . . 0.0 110.798 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.83 -46.41 53.22 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.461 0.553 . . . . 0.0 113.796 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.1 mm 59.98 -58.24 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 128.879 2.872 . . . . 0.0 115.219 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.7 157.49 33.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.59 1.556 . . . . 0.0 112.678 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -132.74 159.84 38.55 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.849 2.06 . . . . 0.0 110.099 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -136.41 153.22 51.15 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.2 136.17 53.18 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.867 1.667 . . . . 0.0 112.445 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -77.33 -19.3 56.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.292 1.437 . . . . 0.0 112.657 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -110.84 -29.82 7.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -136.83 8.96 3.05 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt 59.02 14.49 3.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 169.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -66.83 156.25 36.11 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.641 1.177 . . . . 0.0 111.449 170.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -124.35 141.21 52.25 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.183 1.393 . . . . 0.0 112.147 -170.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.95 144.53 39.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.767 1.627 . . . . 0.0 111.473 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 m -84.02 2.59 38.32 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -146.42 138.08 24.69 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.934 1.694 . . . . 0.0 111.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -71.35 -32.98 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.55 -36.9 65.7 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.406 -0.809 . . . . 0.0 111.298 -175.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -63.06 -39.8 95.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.335 1.054 . . . . 0.0 111.89 169.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.74 -45.46 89.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.563 0.62 . . . . 0.0 111.843 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.79 -42.04 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 110.808 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.6 -42.73 98.23 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.487 -0.758 . . . . 0.0 111.997 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -56.12 -46.49 79.14 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.229 0.922 . . . . 0.0 111.488 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.91 -48.15 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.598 0.759 . . . . 0.0 110.294 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -63.89 -33.22 75.22 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.78 1.232 . . . . 0.0 113.45 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.9 -35.63 32.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.888 0.875 . . . . 0.0 113.204 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtp -112.03 -19.79 12.2 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -170.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -130.47 -36.09 1.48 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.234 0.925 . . . . 0.0 113.405 -172.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.2 t0 43.21 57.56 12.04 Favored Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 128.303 2.641 . . . . 0.0 115.138 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.41 158.03 48.66 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 124.209 3.273 . . . . 0.0 113.011 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -144.12 136.24 26.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.359 1.464 . . . . 0.0 110.35 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.499 2.32 . . . . 0.0 114.751 -179.937 . . . . . . . . 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 1.622 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -80.13 -23.39 41.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 m -81.58 131.19 35.26 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.51 1.124 . . . . 0.0 111.298 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.11 177.27 40.28 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.361 0.981 . . . . 0.0 113.847 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.259 91.3 p 49.45 31.62 4.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 126.884 2.073 . . . . 0.0 115.712 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -71.11 158.69 36.02 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.377 1.471 . . . . 0.0 113.38 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.59 -152.18 4.34 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.326 0.965 . . . . 0.0 112.501 169.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.5 pt -72.29 1.28 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.37 59.29 3.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.267 1.827 . . . . 0.0 112.889 -174.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -78.03 72.54 4.57 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.156 0.982 . . . . 0.0 110.392 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -136.24 153.91 51.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.624 1.169 . . . . 0.0 112.051 173.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.24 149.81 32.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.136 1.374 . . . . 0.0 111.687 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -109.51 5.55 23.31 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.149 1.779 . . . . 0.0 113.271 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -120.54 -32.13 4.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.481 1.512 . . . . 0.0 112.833 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -136.59 9.12 3.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 59.42 10.79 1.96 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 118.028 2.603 . . . . 0.0 118.028 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -70.63 148.95 47.53 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.386 1.074 . . . . 0.0 112.393 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -91.34 147.92 22.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.654 1.582 . . . . 0.0 112.648 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.19 154.06 51.74 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.167 1.787 . . . . 0.0 111.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 m -83.01 -11.68 57.91 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -152.55 145.44 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.244 1.417 . . . . 0.0 111.973 -172.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.03 -32.87 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -75.51 -36.82 60.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.25 0.932 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.18 -38.09 89.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.604 0.762 . . . . 0.0 111.848 170.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.17 -41.56 97.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.485 0.714 . . . . 0.0 112.487 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.402 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -64.16 -33.46 75.84 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.071 -1.018 . . . . 0.0 112.869 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -61.04 -43.04 99.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.311 0.959 . . . . 0.0 111.322 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.0 -41.32 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.473 -0.767 . . . . 0.0 110.832 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -61.46 -32.42 72.41 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.04 -35.11 16.54 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.1 mmm -112.63 -24.75 9.48 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -170.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -135.94 20.68 3.26 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.663 1.356 . . . . 0.0 114.663 -167.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -65.87 148.31 98.34 Favored Pre-proline 0 CA--C 1.55 0.978 0 O-C-N 121.085 -1.009 . . . . 0.0 113.324 -174.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -79.29 54.3 5.11 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 124.515 3.477 . . . . 0.0 112.628 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.273 18.9 pt20 45.23 51.86 9.0 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.974 2.11 . . . . 0.0 113.372 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.695 1.998 . . . . 0.0 113.603 -169.513 . . . . . . . . 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 1.478 1.486 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -64.43 146.47 54.45 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.555 1.142 . . . . 0.0 113.244 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -77.92 163.13 26.28 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.458 1.103 . . . . 0.0 113.843 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.3 -21.59 0.06 OUTLIER Glycine 0 CA--C 1.538 1.491 0 N-CA-C 115.487 0.955 . . . . 0.0 115.487 172.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -82.61 39.22 0.6 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.074 1.75 . . . . 0.0 114.847 -175.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 m 60.09 179.75 0.09 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.612 1.965 . . . . 0.0 114.994 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.49 -152.55 46.5 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.305 0.955 . . . . 0.0 113.009 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 pt -64.13 138.74 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 122.073 -0.663 . . . . 0.0 110.976 173.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -149.46 149.19 30.39 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -169.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -80.05 90.13 5.4 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.139 1.775 . . . . 0.0 110.834 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -132.23 147.9 52.43 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.263 1.425 . . . . 0.0 110.665 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.79 135.89 57.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.582 0.753 . . . . 0.0 111.725 170.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -73.26 -22.36 60.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.16 1.384 . . . . 0.0 112.695 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -114.49 -28.82 7.05 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.12 10.82 4.59 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.31 8.49 1.15 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.979 2.512 . . . . 0.0 117.657 169.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -66.27 142.67 57.6 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 111.871 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -73.59 148.19 43.16 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 111.394 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -132.68 152.96 51.56 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.1 p -89.0 -19.37 25.77 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.977 1.711 . . . . 0.0 115.284 -171.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.88 147.85 27.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.35 1.46 . . . . 0.0 109.981 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.56 -35.11 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.533 -0.73 . . . . 0.0 112.293 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -74.75 -33.79 62.4 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.635 -0.666 . . . . 0.0 111.309 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.0 -39.99 87.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.67 1.188 . . . . 0.0 111.093 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.41 -46.1 90.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.508 1.123 . . . . 0.0 112.194 171.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.35 -40.07 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.368 -0.833 . . . . 0.0 110.887 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -42.94 98.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.797 0.839 . . . . 0.0 111.948 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -58.79 -46.49 87.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.083 173.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.72 -43.89 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.271 0.629 . . . . 0.0 110.962 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.2 mtp-105 -69.98 -21.82 63.2 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -90.6 -40.7 11.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.311 1.044 . . . . 0.0 113.641 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtp -107.32 -20.64 13.21 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -135.28 36.15 2.99 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.137 1.375 . . . . 0.0 111.841 -170.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -60.09 137.5 91.15 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -169.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.54 145.32 41.95 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.503 2.802 . . . . 0.0 111.786 174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -143.23 140.98 30.94 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.699 1.6 . . . . 0.0 110.171 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.825 2.05 . . . . 0.0 112.71 179.869 . . . . . . . . 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 1.48 1.576 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -77.02 160.89 28.76 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.82 1.248 . . . . 0.0 113.234 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -148.99 146.98 28.05 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.058 1.343 . . . . 0.0 111.855 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.19 -2.47 90.45 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.832 1.206 . . . . 0.0 114.658 171.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 59.17 -175.77 0.09 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.002 1.721 . . . . 0.0 113.789 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -145.29 159.13 43.5 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.633 1.573 . . . . 0.0 112.096 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.32 -174.54 24.08 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.194 1.378 . . . . 0.0 114.395 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.345 1.8 pp 50.55 24.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 127.502 2.321 . . . . 0.0 116.016 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 159.57 18.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.09 1.356 . . . . 0.0 113.513 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -77.32 45.9 0.49 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.061 2.144 . . . . 0.0 113.524 -169.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -92.16 146.18 23.92 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.075 1.35 . . . . 0.0 112.485 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.24 124.95 25.19 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.566 0.746 . . . . 0.0 109.997 169.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -71.64 -19.87 62.04 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 111.644 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -104.33 -33.14 8.75 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.992 1.317 . . . . 0.0 114.014 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 p -133.63 11.17 4.05 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.88 14.77 5.45 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.983 2.513 . . . . 0.0 117.717 167.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -73.84 171.14 13.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.659 1.583 . . . . 0.0 111.459 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 137.81 48.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.161 1.384 . . . . 0.0 112.101 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -114.09 165.43 12.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.489 1.516 . . . . 0.0 113.537 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 p -72.88 -27.17 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.055 1.342 . . . . 0.0 114.143 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.64 153.69 32.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.893 1.677 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -57.81 -35.78 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.297 -0.877 . . . . 0.0 111.739 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -71.4 -12.08 61.22 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.361 -0.837 . . . . 0.0 112.894 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -95.82 -30.78 13.5 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.243 1.417 . . . . 0.0 111.866 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.49 -41.71 94.81 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.542 -0.724 . . . . 0.0 111.662 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.24 -34.86 69.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 120.965 -1.084 . . . . 0.0 111.852 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -64.42 -37.54 87.9 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.357 0.981 . . . . 0.0 112.028 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -64.07 -49.16 73.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.043 0.537 . . . . 0.0 111.564 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.58 -48.0 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.84 0.746 . . . . 0.0 110.991 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -67.77 -24.43 65.33 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.25 -36.1 12.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.386 1.074 . . . . 0.0 113.514 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.3 mmm -101.47 -25.75 13.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -172.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -128.43 -49.01 1.29 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -169.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 39.53 59.26 6.47 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 126.929 2.092 . . . . 0.0 113.832 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.55 138.27 53.83 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.613 2.875 . . . . 0.0 113.321 -169.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -152.74 -43.88 0.1 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.028 1.331 . . . . 0.0 112.189 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.201 1.801 . . . . 0.0 112.5 -179.91 . . . . . . . . 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 1.616 0 N-CA-C 111.963 -0.455 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 p -146.73 159.23 43.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.261 1.424 . . . . 0.0 112.497 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m 61.82 -31.92 0.08 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 128.74 2.816 . . . . 0.0 117.918 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.87 179.21 32.14 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.151 1.358 . . . . 0.0 114.523 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -140.14 3.53 1.98 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -66.76 135.96 54.76 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.59 1.156 . . . . 0.0 113.072 -174.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.8 167.05 43.72 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.578 1.085 . . . . 0.0 114.212 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 tp -86.42 -8.92 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.317 1.447 . . . . 0.0 113.602 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -54.32 144.84 19.34 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.889 1.676 . . . . 0.0 112.623 -176.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -118.05 143.26 46.58 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.496 1.518 . . . . 0.0 112.005 -172.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -98.91 145.08 27.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.415 1.086 . . . . 0.0 111.021 169.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 25' ' ' LEU . 42.3 t -62.63 136.62 57.97 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.745 0.783 . . . . 0.0 112.395 176.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -72.5 -11.52 60.7 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.923 1.289 . . . . 0.0 112.99 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.25 -28.92 3.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.917 1.287 . . . . 0.0 114.047 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -137.14 10.6 3.03 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 58.69 6.62 0.63 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -63.49 149.42 46.17 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.82 1.191 . . . . 0.0 112.208 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.94 137.55 32.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.023 1.329 . . . . 0.0 113.037 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -135.76 149.29 49.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.459 1.904 . . . . 0.0 111.757 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 p -74.41 -23.49 58.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -173.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -151.91 154.7 36.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.057 1.743 . . . . 0.0 110.382 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -57.8 -36.29 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.594 -0.691 . . . . 0.0 112.737 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.58 -30.82 64.73 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.891 1.223 . . . . 0.0 112.176 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -67.12 -34.86 78.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.669 0.788 . . . . 0.0 110.874 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 12' ' ' CYS . 56.3 tp -69.4 -38.94 78.18 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.579 169.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.99 -42.96 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 120.233 1.379 . . . . 0.0 110.062 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -60.19 -45.15 94.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.817 0.847 . . . . 0.0 112.116 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -59.28 -46.35 88.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.714 0.688 . . . . 0.0 112.389 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.1 -48.09 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.458 0.703 . . . . 0.0 110.455 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.86 -28.58 69.07 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -83.21 -38.4 22.32 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.3 mtp -112.09 -17.83 12.73 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -169.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -128.5 -44.11 1.39 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.659 1.118 . . . . 0.0 113.782 -173.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.8 t70 39.45 70.97 1.25 Allowed Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 127.83 2.452 . . . . 0.0 114.387 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -62.92 140.87 81.82 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.971 2.447 . . . . 0.0 112.024 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -142.61 144.95 33.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.219 1.808 . . . . 0.0 109.668 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.672 1.989 . . . . 0.0 112.675 178.0 . . . . . . . . 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 1.48 1.633 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -67.94 152.32 45.73 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.575 1.15 . . . . 0.0 113.18 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.6 p -147.8 177.8 9.02 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.379 1.471 . . . . 0.0 111.779 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.11 -26.2 58.16 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.274 -0.891 . . . . 0.0 114.174 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -64.76 -13.47 55.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.531 1.532 . . . . 0.0 114.019 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -75.2 2.56 10.63 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.731 1.212 . . . . 0.0 113.789 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.25 49.67 3.66 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.708 1.147 . . . . 0.0 113.125 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.5 tt -64.9 -24.06 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.482 1.113 . . . . 0.0 113.806 -176.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -126.29 155.18 42.36 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.562 1.945 . . . . 0.0 110.621 171.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.43 120.1 20.41 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.481 0.712 . . . . 0.0 111.031 -172.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -141.27 153.35 45.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.729 0.811 . . . . 0.0 112.673 170.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.26 148.36 41.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.012 1.325 . . . . 0.0 111.668 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -88.43 -23.59 23.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 112.433 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -110.64 -28.51 8.44 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -168.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p -132.31 6.42 4.16 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp 59.07 12.79 2.58 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.19 2.596 . . . . 0.0 117.569 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -67.68 148.97 50.61 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.423 1.089 . . . . 0.0 112.141 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -91.6 148.69 22.09 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.907 1.683 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -135.28 152.38 51.45 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.8 p -78.04 -23.38 48.19 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.229 1.411 . . . . 0.0 114.547 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -154.03 153.16 31.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.403 1.481 . . . . 0.0 110.953 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.01 -33.31 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 121.484 -0.76 . . . . 0.0 112.551 178.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -71.42 -34.6 70.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.779 -0.576 . . . . 0.0 111.494 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.0 -37.74 78.87 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.847 0.859 . . . . 0.0 111.717 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.75 -48.3 79.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.278 0.631 . . . . 0.0 111.971 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.1 mt -65.05 -40.97 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.865 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -58.4 -42.83 88.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.621 1.168 . . . . 0.0 112.191 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -61.2 -47.87 84.13 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.438 0.695 . . . . 0.0 112.324 173.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.09 -42.59 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.644 -0.66 . . . . 0.0 110.947 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -69.58 -21.24 63.62 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -90.02 -38.48 13.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.043 0.937 . . . . 0.0 113.439 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.0 mtp -112.39 -20.2 11.89 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -136.68 25.58 3.1 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.446 1.099 . . . . 0.0 113.501 -169.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -61.32 133.18 92.91 Favored Pre-proline 0 CA--C 1.551 0.995 0 O-C-N 120.932 -1.105 . . . . 0.0 113.061 -174.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -61.73 136.05 59.98 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.117 2.545 . . . . 0.0 113.321 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -144.87 141.26 28.95 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.141 1.776 . . . . 0.0 109.744 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.561 1.944 . . . . 0.0 112.751 178.886 . . . . . . . . 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 1.481 1.67 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -135.58 148.58 49.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.056 1.342 . . . . 0.0 111.84 -170.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -139.76 146.95 40.15 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.149 0.98 . . . . 0.0 113.241 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.38 -178.59 34.45 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.094 0.854 . . . . 0.0 113.907 -174.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -69.49 -27.41 65.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -86.97 -17.84 32.13 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.352 1.461 . . . . 0.0 113.714 174.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.68 -5.65 60.64 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.41 1.481 . . . . 0.0 114.976 -171.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.5 mt -79.5 139.1 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 125.232 1.413 . . . . 0.0 112.145 -169.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.72 144.68 28.37 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.296 1.438 . . . . 0.0 111.939 171.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -97.75 158.24 15.62 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.717 2.007 . . . . 0.0 110.147 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -144.34 153.29 41.83 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.0 147.46 53.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.053 1.341 . . . . 0.0 111.056 169.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -96.72 -15.22 21.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.975 1.31 . . . . 0.0 113.371 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -102.03 -36.76 8.47 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.787 1.235 . . . . 0.0 112.751 -174.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -130.91 6.52 4.65 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.29 1.436 . . . . 0.0 114.668 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 58.59 17.16 4.78 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.614 2.366 . . . . 0.0 117.178 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -68.84 160.33 30.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.676 1.191 . . . . 0.0 111.957 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -115.91 145.48 42.86 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.727 1.611 . . . . 0.0 112.722 -171.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -139.46 145.96 39.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.932 1.693 . . . . 0.0 112.432 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -81.21 -13.0 59.01 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.199 1.0 . . . . 0.0 113.595 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -148.23 142.17 25.84 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.838 1.255 . . . . 0.0 112.277 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.07 -31.95 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -74.74 -36.6 62.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.135 0.88 . . . . 0.0 110.333 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.62 -37.41 87.24 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.504 0.722 . . . . 0.0 112.401 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.97 -46.27 89.98 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.787 0.721 . . . . 0.0 111.56 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.46 -44.25 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.238 -0.914 . . . . 0.0 110.831 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -59.19 -41.15 87.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.551 1.14 . . . . 0.0 112.436 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -60.57 -43.42 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.303 0.641 . . . . 0.0 111.868 171.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.46 -40.33 88.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.541 -0.724 . . . . 0.0 110.966 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -62.59 -34.86 77.84 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.921 1.237 . . . . 0.0 112.981 173.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.77 -35.86 22.12 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.2 mmm -112.25 -24.41 9.84 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -171.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -138.31 39.07 2.28 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.79 1.236 . . . . 0.0 112.288 -168.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.7 133.9 78.31 Favored Pre-proline 0 CA--C 1.552 1.038 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 -169.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.75 144.11 27.52 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.2 2.6 . . . . 0.0 111.91 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -142.95 136.48 28.57 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.832 1.653 . . . . 0.0 109.837 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.454 1.901 . . . . 0.0 113.202 -179.613 . . . . . . . . 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 1.479 1.554 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p -64.48 146.75 54.07 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.251 1.02 . . . . 0.0 113.109 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m 58.16 8.29 0.77 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 -172.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.29 -169.16 36.88 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.752 1.168 . . . . 0.0 114.953 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 m 52.85 34.29 16.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.77 1.628 . . . . 0.0 114.669 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -65.65 133.4 51.04 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.085 -1.009 . . . . 0.0 111.469 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.27 13.12 70.1 Favored Glycine 0 CA--C 1.541 1.676 0 N-CA-C 115.176 0.83 . . . . 0.0 115.176 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -118.02 144.81 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.547 1.939 . . . . 0.0 109.978 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -150.87 -55.33 0.15 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.024 0.929 . . . . 0.0 112.731 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -75.12 136.96 41.08 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.237 0.615 . . . . 0.0 110.718 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -145.68 149.14 33.92 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.489 0.716 . . . . 0.0 112.187 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.08 141.62 58.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.717 1.207 . . . . 0.0 113.846 -169.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.89 -16.4 58.27 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.275 1.43 . . . . 0.0 112.925 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -117.71 -32.26 4.9 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.566 1.146 . . . . 0.0 113.845 -169.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.4 p -134.47 3.62 3.34 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 57.3 18.34 4.25 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.261 2.224 . . . . 0.0 116.641 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.9 150.7 36.76 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.269 -0.894 . . . . 0.0 111.642 169.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -104.96 140.52 38.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.376 1.87 . . . . 0.0 113.172 -170.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -139.41 153.4 47.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.753 1.621 . . . . 0.0 112.963 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.2 p -88.45 -17.04 31.25 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 114.204 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -148.71 147.13 28.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.245 1.418 . . . . 0.0 111.56 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.18 -34.69 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.19 -35.25 71.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 111.468 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -64.53 -38.97 92.87 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.927 0.891 . . . . 0.0 111.193 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.14 -41.65 81.32 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 173.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.25 -41.88 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.743 1.156 . . . . 0.0 110.744 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -61.52 -38.32 86.95 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.467 0.707 . . . . 0.0 112.421 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -49.6 73.18 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.703 0.683 . . . . 0.0 112.077 171.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.94 -44.19 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.757 0.823 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.62 -6.19 52.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -99.15 -33.34 10.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 98.0 mmm -112.13 -25.13 9.49 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -171.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -137.64 17.39 2.89 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.803 1.241 . . . . 0.0 113.976 -168.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.34 129.38 88.89 Favored Pre-proline 0 CA--C 1.552 1.047 0 O-C-N 121.042 -1.036 . . . . 0.0 112.707 -169.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -60.11 143.45 99.54 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 123.17 2.58 . . . . 0.0 114.777 -175.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -88.81 -12.01 43.2 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.483 1.113 . . . . 0.0 113.761 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.428 1.891 . . . . 0.0 112.507 -179.173 . . . . . . . . 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 1.479 1.553 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 m -66.74 136.63 55.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.239 1.016 . . . . 0.0 112.646 -177.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -68.11 -22.24 64.9 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 -7.06 86.92 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.725 1.155 . . . . 0.0 115.03 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -107.87 143.88 35.87 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.226 1.41 . . . . 0.0 112.567 -175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -83.12 -23.97 32.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.298 1.039 . . . . 0.0 113.751 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.25 -2.26 71.84 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.994 1.283 . . . . 0.0 114.697 -171.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mt -89.09 47.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.039 1.419 . . . . 0.0 110.51 -176.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -68.26 153.55 43.52 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.262 1.425 . . . . 0.0 113.135 -176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -128.54 137.08 51.57 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.482 1.913 . . . . 0.0 110.042 -172.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -117.35 142.25 47.33 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.064 0.946 . . . . 0.0 112.279 -173.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.28 142.56 55.53 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.516 1.526 . . . . 0.0 111.996 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -86.14 -23.28 26.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.783 1.233 . . . . 0.0 112.426 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -103.14 -34.3 8.9 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.682 1.193 . . . . 0.0 113.212 -169.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -133.31 4.7 3.73 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.64 12.14 3.49 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.322 2.249 . . . . 0.0 116.262 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -65.94 164.15 15.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.676 1.19 . . . . 0.0 111.331 169.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -132.75 142.56 49.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 113.276 -166.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -136.19 148.77 48.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.186 1.795 . . . . 0.0 111.237 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -80.45 -2.13 44.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.51 144.83 25.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.058 1.743 . . . . 0.0 111.374 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.61 -30.73 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -37.8 80.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.652 1.114 . . . . 0.0 110.54 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -62.64 -42.1 99.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.501 1.12 . . . . 0.0 111.959 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -64.68 -42.29 95.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.79 0.723 . . . . 0.0 112.144 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.72 -44.03 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.139 -0.976 . . . . 0.0 110.244 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -64.89 -36.15 83.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.261 0.937 . . . . 0.0 112.597 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -59.38 -43.95 92.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.044 0.838 . . . . 0.0 111.395 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -63.38 -43.12 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.696 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -60.91 -34.78 75.2 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.373 0.988 . . . . 0.0 113.447 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.21 -34.56 22.01 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -112.37 -26.57 8.67 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -133.26 3.75 3.67 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -65.04 133.22 95.68 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 124.149 0.98 . . . . 0.0 112.427 -173.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.87 142.96 48.87 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.019 2.479 . . . . 0.0 113.077 -173.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -80.78 -17.59 50.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.825 1.25 . . . . 0.0 113.843 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.254 1.338 0 C-N-CA 127.416 2.287 . . . . 0.0 114.695 -178.26 . . . . . . . . 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 1.481 1.647 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -73.03 148.24 44.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.015 0.926 . . . . 0.0 112.749 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -80.71 -11.04 59.68 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.772 1.229 . . . . 0.0 113.358 172.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.42 146.03 40.01 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.425 1.012 . . . . 0.0 113.959 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -149.8 -59.79 0.2 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.113 1.365 . . . . 0.0 111.699 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.5 m -81.97 153.88 26.01 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.023 1.329 . . . . 0.0 112.399 173.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.77 -161.81 35.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 123.861 0.743 . . . . 0.0 114.17 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.1 pt -78.53 -12.96 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -87.53 174.78 8.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.948 1.699 . . . . 0.0 111.967 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.98 111.22 5.52 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.03 0.932 . . . . 0.0 111.151 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -142.47 153.7 43.89 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.444 1.098 . . . . 0.0 112.488 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.81 145.61 55.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.217 1.407 . . . . 0.0 111.377 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -93.46 -19.22 21.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.03 0.932 . . . . 0.0 113.312 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.38 -45.45 9.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.975 0.91 . . . . 0.0 112.043 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.11 2.99 9.88 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.126 1.37 . . . . 0.0 114.624 -176.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.9 11.62 3.38 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.3 150.01 48.75 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.172 -0.955 . . . . 0.0 112.042 172.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -97.0 147.96 23.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 112.292 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -136.19 161.42 35.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.232 1.813 . . . . 0.0 111.767 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -42.07 16.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 0.0 112.597 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.04 147.53 52.45 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.111 1.364 . . . . 0.0 112.151 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.51 -34.95 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.266 0.626 . . . . 0.0 112.413 -175.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -66.9 -38.44 86.25 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.826 -0.546 . . . . 0.0 111.847 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.54 -37.64 71.11 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.189 0.995 . . . . 0.0 111.342 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.92 -42.02 98.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.698 0.799 . . . . 0.0 112.261 171.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.53 -42.27 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.179 -0.95 . . . . 0.0 110.663 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.03 -37.39 84.71 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.154 0.888 . . . . 0.0 112.643 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -60.63 -48.94 79.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.623 170.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.93 -44.53 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.432 0.693 . . . . 0.0 110.902 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -72.21 -11.12 60.58 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -102.02 -33.61 9.65 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.449 1.099 . . . . 0.0 113.225 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.6 mmm -110.93 -25.41 9.84 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -138.34 20.97 2.76 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.658 1.183 . . . . 0.0 113.339 -168.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.86 127.8 92.1 Favored Pre-proline 0 CA--C 1.55 0.959 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -167.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -58.07 136.06 72.53 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.466 2.777 . . . . 0.0 112.903 176.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -158.84 149.62 20.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.434 1.494 . . . . 0.0 110.904 -171.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.317 0 C-N-CA 126.875 2.07 . . . . 0.0 112.659 179.996 . . . . . . . . 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 1.481 1.65 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -77.22 40.46 0.27 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.013 1.725 . . . . 0.0 112.674 172.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -75.26 152.23 38.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.97 2.108 . . . . 0.0 113.269 -169.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.56 -172.3 44.64 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.398 0.999 . . . . 0.0 113.55 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 p -83.45 3.8 30.49 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.505 1.522 . . . . 0.0 114.763 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -61.67 150.17 37.33 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.739 1.616 . . . . 0.0 114.185 -174.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.75 -156.24 51.69 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.441 1.02 . . . . 0.0 113.541 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 pt -129.28 -179.21 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.227 1.411 . . . . 0.0 111.409 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -76.86 -4.51 44.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -66.89 118.11 9.93 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.23 1.012 . . . . 0.0 111.513 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -138.87 153.49 48.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.473 1.509 . . . . 0.0 113.179 -176.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.18 136.45 55.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.549 1.54 . . . . 0.0 112.402 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -7.76 59.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.676 1.59 . . . . 0.0 112.878 176.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -124.79 -28.82 3.47 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -136.76 11.66 3.15 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 58.74 12.44 2.23 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 169.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -70.03 166.92 18.7 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.511 1.124 . . . . 0.0 112.281 171.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 157.33 45.22 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -134.82 162.39 32.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.526 1.131 . . . . 0.0 113.597 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.2 p -89.83 -14.86 33.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.674 1.59 . . . . 0.0 114.021 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -150.37 152.63 34.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.795 1.638 . . . . 0.0 109.891 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.74 -28.75 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.908 0.883 . . . . 0.0 113.054 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' H ' ' HD2' ' A' ' 23' ' ' LYS . 4.4 mptt -68.68 -34.25 75.35 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.543 -0.723 . . . . 0.0 111.54 -175.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.1 -37.96 84.81 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.957 0.903 . . . . 0.0 111.711 174.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.2 -43.19 92.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.177 0.591 . . . . 0.0 111.677 172.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -43.43 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.27 -0.894 . . . . 0.0 110.798 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.71 -39.43 91.47 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.619 0.767 . . . . 0.0 112.375 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -61.87 -46.53 89.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.834 0.854 . . . . 0.0 112.421 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.34 -43.19 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.437 -0.79 . . . . 0.0 110.438 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.39 -17.73 64.29 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.43 -39.08 9.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.571 1.148 . . . . 0.0 113.639 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.3 mtp -110.9 -20.95 12.27 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -172.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -136.65 33.6 2.71 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.126 1.37 . . . . 0.0 111.825 -169.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.83 136.46 93.16 Favored Pre-proline 0 CA--C 1.551 1.014 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -169.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.17 154.13 69.63 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.539 2.826 . . . . 0.0 114.19 176.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -78.23 -12.6 60.01 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.37 1.868 . . . . 0.0 112.669 -178.516 . . . . . . . . 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 1.606 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -73.6 155.71 38.81 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.7 1.2 . . . . 0.0 113.087 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t 56.81 -161.38 0.21 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.588 1.555 . . . . 0.0 113.772 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.14 17.89 66.07 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.968 1.271 . . . . 0.0 114.945 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 m -60.69 143.3 54.51 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.117 1.367 . . . . 0.0 112.899 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -75.55 -16.77 60.23 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -169.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 174.53 42.29 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.552 1.072 . . . . 0.0 113.699 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.6 pt -108.51 -1.19 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -173.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 158.53 30.89 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.596 1.158 . . . . 0.0 113.466 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -86.72 158.18 19.48 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.436 1.094 . . . . 0.0 110.361 169.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -136.99 153.65 50.62 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.409 0.684 . . . . 0.0 112.063 169.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.52 142.93 54.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.217 1.007 . . . . 0.0 111.284 169.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -89.3 -6.5 56.68 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.851 1.261 . . . . 0.0 113.192 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -124.26 -30.36 3.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.594 1.158 . . . . 0.0 113.781 -170.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.3 p -132.91 8.16 4.08 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.978 1.311 . . . . 0.0 114.502 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 57.99 15.62 3.26 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.971 2.509 . . . . 0.0 117.2 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -67.62 147.5 52.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.401 1.08 . . . . 0.0 111.941 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -86.2 140.31 30.27 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.782 1.633 . . . . 0.0 111.991 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -139.38 117.55 11.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.533 1.533 . . . . 0.0 111.324 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 m -71.49 -16.83 62.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -126.51 131.25 51.65 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 111.668 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 p -63.85 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.039 0.936 . . . . 0.0 112.958 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -72.02 -33.24 67.89 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.766 -0.584 . . . . 0.0 111.714 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -68.19 -35.95 78.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.534 0.734 . . . . 0.0 112.301 171.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.47 -52.06 67.2 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.158 0.89 . . . . 0.0 109.825 168.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.31 -38.64 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.669 -0.644 . . . . 0.0 110.457 -173.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -56.52 -45.38 81.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.976 1.31 . . . . 0.0 112.29 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.04 -45.95 91.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.742 0.701 . . . . 0.0 112.058 174.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.77 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.756 . . . . 0.0 111.112 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.43 -30.26 70.57 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.173 0.989 . . . . 0.0 113.569 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -85.71 -33.16 21.57 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.8 mmm -111.95 -25.05 9.6 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -134.03 7.92 3.74 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.486 1.662 . . . . 0.0 115.486 -167.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.59 116.4 13.93 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 124.693 1.197 . . . . 0.0 111.946 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -83.06 62.1 7.55 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 124.041 3.161 . . . . 0.0 113.576 -168.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -152.4 148.0 26.94 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.961 1.704 . . . . 0.0 110.919 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.819 2.048 . . . . 0.0 112.608 179.778 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_