data_2vgh_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 2vgh _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 full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 76.01 141.98 0.07 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.074 1.75 . . . . 0.0 110.797 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 56.4 50.87 12.33 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.965 1.306 . . . . 0.0 110.574 -172.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 64.55 178.51 0.18 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.715 1.606 . . . . 0.0 112.115 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -150.5 84.58 5.56 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.737 0.815 . . . . 0.0 108.961 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -55.76 129.13 33.38 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.655 2.903 . . . . 0.0 111.513 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.0 m -137.27 168.95 18.63 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.149 0.979 . . . . 0.0 110.648 -178.475 -68.32 -62.019 -74.706 104.633 2.045 104.59 -62.235 -53.645 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.64 97.34 0.67 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -49.55 140.07 29.05 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 124.395 3.397 . . . . 0.0 113.241 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 90.5 m -70.49 -53.51 15.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.754 0.821 . . . . 0.0 110.922 -175.888 -66.687 89.943 83.293 105.89 2.05 103.944 143.271 -50.896 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 p -72.58 158.48 35.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.993 0.917 . . . . 0.0 110.975 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -61.24 -78.01 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.173 1.389 . . . . 0.0 113.266 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -137.08 -59.87 0.69 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.047 0.939 . . . . 0.0 110.339 -169.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -82.64 55.32 2.94 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.574 1.15 . . . . 0.0 110.598 -172.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.08 41.8 0.84 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.139 1.376 . . . . 0.0 112.481 -171.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -57.86 -41.39 82.33 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.142 0.977 . . . . 0.0 110.986 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.2 mt -94.91 40.98 1.09 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.093 0.957 . . . . 0.0 111.284 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -138.81 159.55 41.86 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.384 1.074 . . . . 0.0 110.689 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.83 155.97 31.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.728 2.011 . . . . 0.0 107.259 169.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -140.13 133.25 29.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.549 0.74 . . . . 0.0 109.336 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -68.8 119.07 66.79 Favored Pre-proline 0 CA--C 1.535 0.368 0 C-N-CA 123.9 0.88 . . . . 0.0 110.004 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.35 44.8 1.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.556 2.837 . . . . 0.0 111.6 -174.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -143.19 -54.66 0.39 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.153 1.381 . . . . 0.0 108.736 172.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 p -99.71 -12.23 20.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.856 1.263 . . . . 0.0 112.425 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.8 m 64.75 22.89 12.65 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.942 1.297 . . . . 0.0 112.421 -178.403 -53.645 -62.235 -74.706 104.59 2.045 104.633 -62.019 -68.32 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -76.28 132.52 39.9 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.2 m -98.91 142.85 29.9 Favored 'General case' 0 CA--C 1.522 -0.098 0 C-N-CA 123.89 0.876 . . . . 0.0 109.423 -174.61 -50.896 143.271 83.293 103.944 2.05 105.89 89.943 -66.687 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.1 m -140.94 146.97 38.08 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.9 m -71.57 138.4 48.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 171.655 -81.242 -168.258 71.409 105.3 2.038 105.439 174.149 -72.812 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -61.9 -35.6 78.83 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.796 1.238 . . . . 0.0 110.433 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -101.17 113.04 25.72 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.754 1.621 . . . . 0.0 108.049 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.5 p -99.86 160.78 14.05 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.608 0.763 . . . . 0.0 110.55 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.31 -27.39 68.45 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.896 0.878 . . . . 0.0 111.783 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.6 m -55.1 -46.05 75.51 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.578 0.751 . . . . 0.0 111.015 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -66.71 -44.65 81.07 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.225 0.21 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.07 -47.11 84.18 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.619 0.368 . . . . 0.0 110.337 177.365 -59.355 -49.907 -79.242 106.248 2.051 107.085 -61.141 -59.436 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.08 -41.52 88.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.725 1.21 . . . . 0.0 110.969 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.41 -25.15 67.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.142 0.577 . . . . 0.0 112.238 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -99.78 9.18 43.49 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.974 1.31 . . . . 0.0 112.159 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 59.79 50.8 6.65 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.846 1.658 . . . . 0.0 110.882 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.08 176.03 9.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.14 2.176 . . . . 0.0 107.714 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -129.99 154.07 47.76 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 124.235 1.014 . . . . 0.0 109.004 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -82.97 133.17 35.12 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.807 0.843 . . . . 0.0 110.84 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -89.2 100.58 13.34 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 168.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.84 -12.36 10.65 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -169.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -79.19 -54.61 5.81 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.668 0.667 . . . . 0.0 110.013 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.5 t -96.0 -14.07 23.29 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.095 0.958 . . . . 0.0 111.769 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 65.6 m 53.46 56.9 6.72 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.592 1.957 . . . . 0.0 111.808 -174.932 -72.812 174.149 71.409 105.439 2.038 105.3 -168.258 -81.242 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -128.06 156.56 42.58 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.674 1.589 . . . . 0.0 107.725 169.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.4 m -89.29 126.73 35.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.845 0.458 . . . . 0.0 110.083 -172.832 -59.436 -61.141 -79.242 107.085 2.051 106.248 -49.907 -59.355 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -121.41 174.57 6.66 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.123 1.769 . . . . 0.0 110.124 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -55.64 140.06 67.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 124.218 1.007 . . . . 0.0 109.995 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.77 -73.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.747 2.298 . . . . 0.0 110.834 -170.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 67.38 0.73 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 169.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.024 -1.465 . . . . 0.0 107.161 177.208 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 76.01 141.98 0.07 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.074 1.75 . . . . 0.0 110.797 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 56.4 50.87 12.33 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.965 1.306 . . . . 0.0 110.574 -172.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 64.55 178.51 0.18 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.715 1.606 . . . . 0.0 112.115 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -150.5 84.58 5.56 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.737 0.815 . . . . 0.0 108.961 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -55.76 129.13 33.38 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.655 2.903 . . . . 0.0 111.513 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.0 m -137.27 168.95 18.63 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.149 0.979 . . . . 0.0 110.648 -178.475 -68.32 -62.019 -74.706 104.633 2.045 104.59 -62.235 -53.645 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.64 97.34 0.67 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -49.55 140.07 29.05 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 124.395 3.397 . . . . 0.0 113.241 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 90.5 m -70.49 -53.51 15.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.754 0.821 . . . . 0.0 110.922 -175.888 -66.687 89.943 83.293 105.89 2.05 103.944 143.271 -50.896 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 p -72.58 158.48 35.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.993 0.917 . . . . 0.0 110.975 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -61.24 -78.01 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.173 1.389 . . . . 0.0 113.266 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -137.08 -59.87 0.69 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.047 0.939 . . . . 0.0 110.339 -169.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -82.64 55.32 2.94 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.574 1.15 . . . . 0.0 110.598 -172.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.08 41.8 0.84 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.139 1.376 . . . . 0.0 112.481 -171.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -57.86 -41.39 82.33 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.142 0.977 . . . . 0.0 110.986 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.2 mt -94.91 40.98 1.09 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.093 0.957 . . . . 0.0 111.284 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -138.81 159.55 41.86 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.384 1.074 . . . . 0.0 110.689 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.83 155.97 31.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.728 2.011 . . . . 0.0 107.259 169.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -140.13 133.25 29.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.549 0.74 . . . . 0.0 109.336 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -68.8 119.07 66.79 Favored Pre-proline 0 CA--C 1.535 0.368 0 C-N-CA 123.9 0.88 . . . . 0.0 110.004 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.35 44.8 1.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.556 2.837 . . . . 0.0 111.6 -174.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -143.19 -54.66 0.39 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.153 1.381 . . . . 0.0 108.736 172.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 p -99.71 -12.23 20.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.856 1.263 . . . . 0.0 112.425 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.8 m 64.75 22.89 12.65 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.942 1.297 . . . . 0.0 112.421 -178.403 -53.645 -62.235 -74.706 104.59 2.045 104.633 -62.019 -68.32 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -76.28 132.52 39.9 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.2 m -98.91 142.85 29.9 Favored 'General case' 0 CA--C 1.522 -0.098 0 C-N-CA 123.89 0.876 . . . . 0.0 109.423 -174.61 -50.896 143.271 83.293 103.944 2.05 105.89 89.943 -66.687 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.1 m -140.94 146.97 38.08 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.9 m -71.57 138.4 48.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 171.655 -81.242 -168.258 71.409 105.3 2.038 105.439 174.149 -72.812 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -61.9 -35.6 78.83 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.796 1.238 . . . . 0.0 110.433 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -101.17 113.04 25.72 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.754 1.621 . . . . 0.0 108.049 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.5 p -99.86 160.78 14.05 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.608 0.763 . . . . 0.0 110.55 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.31 -27.39 68.45 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.896 0.878 . . . . 0.0 111.783 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.6 m -55.1 -46.05 75.51 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.578 0.751 . . . . 0.0 111.015 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -66.71 -44.65 81.07 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.225 0.21 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.07 -47.11 84.18 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.619 0.368 . . . . 0.0 110.337 177.365 -59.355 -49.907 -79.242 106.248 2.051 107.085 -61.141 -59.436 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.08 -41.52 88.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.725 1.21 . . . . 0.0 110.969 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.41 -25.15 67.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.142 0.577 . . . . 0.0 112.238 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -99.78 9.18 43.49 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.974 1.31 . . . . 0.0 112.159 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 59.79 50.8 6.65 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.846 1.658 . . . . 0.0 110.882 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.08 176.03 9.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.14 2.176 . . . . 0.0 107.714 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -129.99 154.07 47.76 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 124.235 1.014 . . . . 0.0 109.004 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -82.97 133.17 35.12 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.807 0.843 . . . . 0.0 110.84 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -89.2 100.58 13.34 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 168.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.84 -12.36 10.65 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -169.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -79.19 -54.61 5.81 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.668 0.667 . . . . 0.0 110.013 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.5 t -96.0 -14.07 23.29 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.095 0.958 . . . . 0.0 111.769 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 65.6 m 53.46 56.9 6.72 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.592 1.957 . . . . 0.0 111.808 -174.932 -72.812 174.149 71.409 105.439 2.038 105.3 -168.258 -81.242 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -128.06 156.56 42.58 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.674 1.589 . . . . 0.0 107.725 169.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.4 m -89.29 126.73 35.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.845 0.458 . . . . 0.0 110.083 -172.832 -59.436 -61.141 -79.242 107.085 2.051 106.248 -49.907 -59.355 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -121.41 174.57 6.66 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.123 1.769 . . . . 0.0 110.124 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -55.64 140.06 67.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 124.218 1.007 . . . . 0.0 109.995 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.77 -73.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.747 2.298 . . . . 0.0 110.834 -170.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 67.38 0.73 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 169.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.024 -1.465 . . . . 0.0 107.161 177.208 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 76.01 141.98 0.07 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.074 1.75 . . . . 0.0 110.797 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 56.4 50.87 12.33 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.965 1.306 . . . . 0.0 110.574 -172.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 64.55 178.51 0.18 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.715 1.606 . . . . 0.0 112.115 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -150.5 84.58 5.56 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 123.737 0.815 . . . . 0.0 108.961 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -55.76 129.13 33.38 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.655 2.903 . . . . 0.0 111.513 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.0 m -137.27 168.95 18.63 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.149 0.979 . . . . 0.0 110.648 -178.475 -68.32 -62.019 -74.706 104.633 2.045 104.59 -62.235 -53.645 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.64 97.34 0.67 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -49.55 140.07 29.05 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 124.395 3.397 . . . . 0.0 113.241 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 90.5 m -70.49 -53.51 15.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.754 0.821 . . . . 0.0 110.922 -175.888 -66.687 89.943 83.293 105.89 2.05 103.944 143.271 -50.896 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 p -72.58 158.48 35.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.993 0.917 . . . . 0.0 110.975 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -61.24 -78.01 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.173 1.389 . . . . 0.0 113.266 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -137.08 -59.87 0.69 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.047 0.939 . . . . 0.0 110.339 -169.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -82.64 55.32 2.94 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.574 1.15 . . . . 0.0 110.598 -172.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.08 41.8 0.84 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.139 1.376 . . . . 0.0 112.481 -171.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -57.86 -41.39 82.33 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.142 0.977 . . . . 0.0 110.986 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.2 mt -94.91 40.98 1.09 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.093 0.957 . . . . 0.0 111.284 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -138.81 159.55 41.86 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.384 1.074 . . . . 0.0 110.689 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.83 155.97 31.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.728 2.011 . . . . 0.0 107.259 169.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -140.13 133.25 29.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.549 0.74 . . . . 0.0 109.336 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -68.8 119.07 66.79 Favored Pre-proline 0 CA--C 1.535 0.368 0 C-N-CA 123.9 0.88 . . . . 0.0 110.004 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.35 44.8 1.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.556 2.837 . . . . 0.0 111.6 -174.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -143.19 -54.66 0.39 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.153 1.381 . . . . 0.0 108.736 172.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 p -99.71 -12.23 20.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.856 1.263 . . . . 0.0 112.425 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.8 m 64.75 22.89 12.65 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.942 1.297 . . . . 0.0 112.421 -178.403 -53.645 -62.235 -74.706 104.59 2.045 104.633 -62.019 -68.32 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -76.28 132.52 39.9 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.2 m -98.91 142.85 29.9 Favored 'General case' 0 CA--C 1.522 -0.098 0 C-N-CA 123.89 0.876 . . . . 0.0 109.423 -174.61 -50.896 143.271 83.293 103.944 2.05 105.89 89.943 -66.687 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.1 m -140.94 146.97 38.08 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.9 m -71.57 138.4 48.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 171.655 -81.242 -168.258 71.409 105.3 2.038 105.439 174.149 -72.812 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -61.9 -35.6 78.83 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.796 1.238 . . . . 0.0 110.433 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -101.17 113.04 25.72 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.754 1.621 . . . . 0.0 108.049 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.5 p -99.86 160.78 14.05 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.608 0.763 . . . . 0.0 110.55 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.31 -27.39 68.45 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.896 0.878 . . . . 0.0 111.783 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.6 m -55.1 -46.05 75.51 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.578 0.751 . . . . 0.0 111.015 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -66.71 -44.65 81.07 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.225 0.21 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.07 -47.11 84.18 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.619 0.368 . . . . 0.0 110.337 177.365 -59.355 -49.907 -79.242 106.248 2.051 107.085 -61.141 -59.436 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.08 -41.52 88.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.725 1.21 . . . . 0.0 110.969 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.41 -25.15 67.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.142 0.577 . . . . 0.0 112.238 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -99.78 9.18 43.49 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.974 1.31 . . . . 0.0 112.159 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 59.79 50.8 6.65 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.846 1.658 . . . . 0.0 110.882 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.08 176.03 9.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.14 2.176 . . . . 0.0 107.714 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -129.99 154.07 47.76 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 124.235 1.014 . . . . 0.0 109.004 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -82.97 133.17 35.12 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.807 0.843 . . . . 0.0 110.84 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -89.2 100.58 13.34 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 168.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.84 -12.36 10.65 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -169.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -79.19 -54.61 5.81 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.668 0.667 . . . . 0.0 110.013 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.5 t -96.0 -14.07 23.29 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.095 0.958 . . . . 0.0 111.769 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 65.6 m 53.46 56.9 6.72 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.592 1.957 . . . . 0.0 111.808 -174.932 -72.812 174.149 71.409 105.439 2.038 105.3 -168.258 -81.242 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -128.06 156.56 42.58 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.674 1.589 . . . . 0.0 107.725 169.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.4 m -89.29 126.73 35.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.845 0.458 . . . . 0.0 110.083 -172.832 -59.436 -61.141 -79.242 107.085 2.051 106.248 -49.907 -59.355 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -121.41 174.57 6.66 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.123 1.769 . . . . 0.0 110.124 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -55.64 140.06 67.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 124.218 1.007 . . . . 0.0 109.995 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.77 -73.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.747 2.298 . . . . 0.0 110.834 -170.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 67.38 0.73 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 169.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.024 -1.465 . . . . 0.0 107.161 177.208 . . . . . . . . 0 0 . 1 stop_ save_