data_1va3_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 1va3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.581 0.229 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.86 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.457 2.105 . . . . 0.0 112.628 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.425 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.3 mm-40 -105.63 -27.28 11.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.531 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.0 p -134.11 172.88 6.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.69 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.531 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.8 Cg_endo -89.88 -14.46 2.35 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.877 2.385 . . . . 0.0 112.648 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -61.78 154.21 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -140.84 149.93 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.03 129.7 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.14 -24.12 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -98.36 162.02 13.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.97 -25.92 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.054 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.42 -47.55 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -67.99 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 15.5 mt -58.09 -21.24 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.018 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.3 p -68.79 -44.47 73.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -75.41 -32.0 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -70.34 -50.75 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 16.3 mt -68.68 -29.88 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -53.22 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 -27.29 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.536 0.208 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.32 -22.91 10.62 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.487 2.125 . . . . 0.0 112.574 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.2 0.67 15.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.682 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.41 ' HB3' ' CD ' ' A' ' 603' ' ' PRO . 6.7 m -144.33 170.07 8.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.41 ' CD ' ' HB3' ' A' ' 602' ' ' CYS . 1.0 OUTLIER -84.92 -14.4 6.23 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 123.406 2.737 . . . . 0.0 112.783 -179.34 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 615' ' ' HIS . 2.1 mptp? -52.95 121.99 8.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.07 168.88 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.415 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 52.8 m-85 -146.65 -177.84 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 8.5 mtt -80.98 -32.15 34.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.5 -178.48 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.32 29.1 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 -47.64 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.799 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -81.62 -31.26 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.415 ' HG ' ' CD1' ' A' ' 606' ' ' PHE . 7.7 mt -57.22 -22.3 39.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.4 m -68.35 -31.15 70.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -35.28 66.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . 0.431 ' CE1' ' HG2' ' A' ' 604' ' ' LYS . 69.6 t60 -74.02 -38.02 64.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 8.8 mt -70.9 -46.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.311 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -30.43 69.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.022 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -31.61 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.68 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.83 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.599 0.238 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.56 -1.18 11.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.488 2.126 . . . . 0.0 112.675 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 10.3 mm-40 -108.48 -27.29 10.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.517 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.7 p -133.9 172.58 7.08 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.684 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.517 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.7 Cg_endo -89.49 -15.68 2.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.842 2.361 . . . . 0.0 112.613 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -62.69 145.76 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . 0.405 ' O ' ' CD1' ' A' ' 606' ' ' PHE . 6.9 mtm180 -127.19 156.5 41.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 605' ' ' ARG . 8.6 m-85 -136.83 152.41 50.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.71 23.99 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -147.39 126.43 12.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.786 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -27.01 59.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.65 -47.5 85.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -67.65 -31.15 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.012 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 10.2 mt -58.97 -20.62 54.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.5 m -73.46 -44.15 58.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -75.69 -32.53 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -72.61 -52.69 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 27.0 mt -65.64 -29.86 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.22 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 8.6 t -70.65 -27.98 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.628 0.251 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.04 -24.11 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.596 2.197 . . . . 0.0 112.374 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.417 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.0 mm-40 -83.21 -27.53 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.533 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 29.5 p -133.07 172.8 6.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.706 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.533 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.2 Cg_endo -90.21 -11.1 3.14 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.901 2.4 . . . . 0.0 112.655 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -61.29 138.29 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.798 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.94 156.94 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -129.98 155.82 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -101.21 27.76 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 177.29 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.4 t -112.15 -28.61 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.25 -47.69 84.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.065 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -35.48 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -13.53 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 28.7 t -80.51 -37.32 31.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.62 -31.92 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.32 -36.82 85.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.76 -30.13 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -62.17 -35.58 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -30.15 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.0 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.71 0.29 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.59 -21.68 4.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 17.7 mt-10 -86.86 -27.26 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.291 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.522 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.3 p -132.14 172.66 7.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.629 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.522 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.19 -6.26 4.68 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.827 2.351 . . . . 0.0 112.798 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -62.27 155.37 25.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.822 0.344 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.36 145.5 47.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -122.0 155.18 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.7 ttm -102.64 31.43 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -169.08 -179.58 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.88 -31.65 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.099 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -35.3 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -13.6 61.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 44.2 t -80.88 -35.06 33.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.36 -41.87 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 41.1 mt -70.72 -31.77 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -60.91 -30.52 70.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.412 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . 0.409 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 45.3 t . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.559 0.219 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.63 -28.08 2.37 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.226 . . . . 0.0 112.397 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.15 -25.46 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.573 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.3 p -134.7 176.78 2.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 61.2 Cg_endo -90.05 -15.38 2.05 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.818 2.346 . . . . 0.0 112.739 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.46 128.98 38.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -108.0 149.17 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -118.26 144.11 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mmt -97.57 27.94 4.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.9 173.4 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 74.1 m -110.01 -25.08 10.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.58 -47.21 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -73.93 -34.36 64.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.03 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 52.5 p -76.21 -40.84 51.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.843 0.354 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.05 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -64.17 -48.16 77.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.071 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 30.1 mt -68.78 -31.49 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -60.87 -33.75 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.95 -31.14 58.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.409 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 2.7 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 606' ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.495 0.188 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -79.93 2.43 8.42 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.734 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.3 mm-40 -105.11 -27.96 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.72 0.295 . . . . 0.0 111.216 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.445 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 23.2 p -130.09 168.24 17.5 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 74.5 Cg_endo -90.85 83.14 0.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.766 2.311 . . . . 0.0 112.894 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -176.35 139.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 158.46 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.44 ' CD2' ' HG ' ' A' ' 612' ' ' LEU . 4.8 m-85 -124.41 160.08 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 7.9 mmt -58.46 -37.28 75.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.088 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.04 -168.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 16.5 t -105.12 28.29 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -47.61 8.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -94.51 -27.37 16.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 606' ' ' PHE . 1.1 mt -52.25 -26.81 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -42.36 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -31.96 60.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -72.37 -43.75 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 10.3 mt -70.83 -29.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -30.67 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.65 0.262 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.84 -19.84 6.93 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.645 2.23 . . . . 0.0 112.546 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.41 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 30.9 mm-40 -90.26 -26.85 19.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.539 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.5 p -133.49 173.64 5.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.539 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.2 Cg_endo -89.97 -13.59 2.54 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.849 2.366 . . . . 0.0 112.618 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -60.23 141.1 56.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.846 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.73 146.7 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.419 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.0 m-85 -117.94 144.03 45.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.65 10.72 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -146.08 174.79 10.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.14 -26.21 9.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -47.59 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.66 -34.72 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.037 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.419 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -61.81 -17.74 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.737 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -41.27 62.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -31.96 67.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -71.48 -52.53 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.5 mt -63.84 -29.86 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -57.63 -45.67 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 11.6 t -70.94 -27.59 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.663 0.268 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.28 -24.18 3.2 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.618 2.212 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.4 mm-40 -83.87 -27.97 28.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.525 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.7 p -132.12 172.49 7.29 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.597 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.525 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -90.12 -7.38 4.41 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.879 2.386 . . . . 0.0 112.813 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 163.66 7.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -141.01 154.08 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.42 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.3 m-85 -133.06 176.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.44 29.09 4.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -172.24 120.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 5.4 t -62.86 -21.15 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -56.02 -47.59 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -88.05 -37.01 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.42 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -59.86 -18.64 45.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.3 m -71.09 -42.19 69.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -72.78 -31.89 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -64.87 -44.14 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.25 -29.9 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -55.89 -51.02 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.2 t -62.19 -28.89 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.429 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.765 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.602 0.239 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.62 -24.35 3.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.567 2.178 . . . . 0.0 112.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -78.26 -28.61 47.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.312 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.53 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.2 p -132.86 173.1 6.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.63 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.53 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 57.6 Cg_endo -89.33 -3.5 5.94 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.748 2.299 . . . . 0.0 112.771 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.27 152.85 42.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -124.97 146.11 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.41 ' CD1' HD22 ' A' ' 612' ' ' LEU . 8.3 m-85 -123.22 157.12 33.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -115.04 26.15 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -168.54 147.7 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.8 p -95.4 21.03 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.4 -45.03 5.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.398 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -82.1 -29.69 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.959 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 606' ' ' PHE . 7.5 mt -59.5 -20.74 57.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.004 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 2.0 t -68.66 -42.44 77.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -75.64 -31.97 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -72.32 -52.6 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.71 -29.91 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -46.17 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.76 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.0 t -70.78 -28.11 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 50.1 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.551 0.215 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.75 -27.81 2.44 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.541 2.161 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.39 -25.47 62.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.575 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.4 p -134.46 176.76 2.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.575 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 65.1 Cg_endo -90.28 -10.77 3.2 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.739 2.293 . . . . 0.0 113.096 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 142.52 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.785 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -119.79 153.79 35.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.447 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.3 m-85 -126.35 141.48 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -20.02 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.51 -174.14 3.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.06 -25.24 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.272 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.73 -47.63 79.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -71.0 -32.47 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.447 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 4.5 mt -57.11 -21.91 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.6 p -66.58 -40.4 88.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -31.92 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.72 -44.63 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 9.0 mt -69.63 -29.81 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.158 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -60.59 -31.48 70.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -30.32 48.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . 0.404 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 49.1 t . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.511 0.196 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -80.37 -27.7 3.34 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.2 -25.74 64.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.257 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.566 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.6 p -134.31 176.12 3.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.566 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.75 -9.1 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.766 2.31 . . . . 0.0 113.062 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 149.97 34.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -131.32 142.65 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.416 ' CG ' HD23 ' A' ' 612' ' ' LEU . 5.3 m-85 -117.27 177.36 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.1 ttp -123.17 29.98 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.77 -179.37 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 24.6 t -110.8 -23.1 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.65 -47.6 76.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -84.51 -36.04 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.416 HD23 ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -62.18 -17.17 57.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.06 179.805 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -41.47 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.399 . . . . 0.0 110.737 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -75.74 -32.03 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -61.18 -45.54 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 37.3 mt -68.73 -29.93 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.9 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -30.95 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.404 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 4.6 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . 0.402 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 47.3 t . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.608 0.242 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -83.47 -27.1 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.656 2.238 . . . . 0.0 112.49 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.414 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.8 mm-40 -77.35 -27.83 52.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.1 p -133.69 175.96 3.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.0 Cg_endo -91.47 24.65 0.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.802 2.335 . . . . 0.0 113.015 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -81.71 176.1 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.899 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -146.5 143.74 29.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.42 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.6 m-85 -130.21 150.08 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.7 ttp -98.77 29.83 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 142.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 3.9 m -82.18 -26.95 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -47.68 83.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.081 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -77.96 -34.79 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.42 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -60.14 -18.9 50.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -41.89 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -65.83 -31.84 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -66.87 -48.45 68.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.03 -29.82 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.232 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -50.6 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.7 t -67.92 -30.7 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.414 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.623 0.249 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.54 -14.75 12.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.565 2.177 . . . . 0.0 112.628 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.22 -25.38 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.329 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.569 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.9 p -135.78 176.15 3.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.724 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.569 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.67 -15.36 2.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.855 2.37 . . . . 0.0 112.598 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -62.14 117.51 6.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 160.82 21.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.447 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 1.6 m-85 -140.1 -179.88 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.743 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 18.9 mtp -115.11 13.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -143.8 145.52 32.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -21.73 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.26 -47.54 78.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -82.18 -36.43 27.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.422 ' HG ' ' CD1' ' A' ' 606' ' ' PHE . 2.9 mt -60.57 -18.08 50.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 25.9 p -72.95 -42.54 63.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.03 59.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -66.49 -46.94 74.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.82 -29.82 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -57.16 -41.09 78.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 10.9 t -71.72 -27.09 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.649 0.262 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.49 -13.22 16.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.535 2.156 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.425 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.1 mm-40 -105.02 -26.55 12.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.254 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.563 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 17.8 p -135.23 175.53 3.55 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.796 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.563 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 63.9 Cg_endo -90.82 -14.02 2.0 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.0 2.467 . . . . 0.0 112.752 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 151.43 24.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -124.9 157.72 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.439 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.3 m-85 -131.2 146.06 52.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mtt -96.8 27.0 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.57 171.38 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.3 m -110.48 -21.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -47.62 80.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -75.19 -38.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -60.13 -18.01 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 45.9 t -72.13 -42.3 66.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.89 0.376 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -31.92 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -68.02 -50.64 54.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 17.9 mt -64.69 -29.84 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -57.19 -46.15 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.0 t -72.06 -27.54 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.1 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.653 0.263 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.4 -25.22 2.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 1.9 mm-40 -80.12 -28.85 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.517 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.8 p -131.28 172.42 7.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.564 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.517 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 66.3 Cg_endo -90.64 17.9 1.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.756 2.304 . . . . 0.0 112.905 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.06 169.02 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 0.0 110.802 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -146.47 145.65 30.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.421 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 13.6 m-85 -131.89 166.68 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 29.4 mtm -118.05 27.22 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.702 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -175.62 152.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -21.31 27.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -47.69 82.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.08 -35.14 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.223 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.421 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -59.57 -18.68 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.0 p -72.5 -39.39 67.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.049 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.45 69.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -65.78 -52.34 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 33.7 mt -62.81 -29.53 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.107 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -38.61 67.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.251 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 14.5 t -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.432 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 43.3 t . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.564 0.221 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.41 -2.53 12.74 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.494 2.129 . . . . 0.0 112.889 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -105.94 19.07 21.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.587 0.232 . . . . 0.0 111.317 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.574 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.0 p -177.62 175.85 0.53 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.574 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 56.9 Cg_endo -89.32 -13.67 2.84 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.921 2.414 . . . . 0.0 112.735 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 160.71 9.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.801 0.334 . . . . 0.0 110.88 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -137.13 144.97 43.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.435 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.0 m-85 -122.6 144.18 49.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.92 30.17 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.26 172.93 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 3.3 p -109.29 -24.96 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -59.35 -47.55 84.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -78.04 -35.96 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.435 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.6 OUTLIER -60.41 -18.37 50.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.755 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 8.6 t -71.72 -40.4 69.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.761 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -75.59 -31.94 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.41 -50.22 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 17.9 mt -65.98 -30.0 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.65 -36.77 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -30.06 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.745 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.4 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.634 0.254 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -83.56 -24.78 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.97 -27.87 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.529 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.5 p -132.94 172.63 7.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.72 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.529 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.0 Cg_endo -90.07 -6.06 4.83 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.872 2.382 . . . . 0.0 112.726 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -64.19 143.31 57.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.78 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -123.98 144.11 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -119.65 148.32 43.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.03 27.43 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -162.26 -179.4 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.4 p -114.83 -30.8 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -60.73 -46.92 88.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.225 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.91 -36.66 56.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.51 -15.6 58.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 74.9 m -75.98 -39.32 56.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.793 0.33 . . . . 0.0 110.828 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.688 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -65.7 -45.0 84.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 27.3 mt -70.75 -31.72 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -61.55 -29.44 70.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 -30.5 41.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.595 0.236 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.1 -15.9 11.4 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.9 -25.58 19.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.562 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 22.2 p -135.51 175.43 3.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.761 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.562 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 62.0 Cg_endo -90.21 -13.37 2.47 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.874 2.383 . . . . 0.0 112.606 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.29 142.79 54.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -128.94 153.08 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -133.83 164.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 30.3 mtt -103.93 37.01 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -173.58 138.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -23.81 32.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.2 -47.56 78.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.12 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -31.81 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.29 -22.41 41.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -46.6 77.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.751 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -75.7 -31.7 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -74.11 -46.1 44.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.482 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 29.6 mt -70.85 -41.6 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.751 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 14.2 t -69.5 -28.27 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.531 0.205 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.71 -7.4 17.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.456 2.104 . . . . 0.0 112.726 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.421 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 62.1 mm-40 -93.33 -27.41 16.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.53 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.3 p -133.75 173.62 5.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.543 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.53 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.6 Cg_endo -89.4 13.49 2.4 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.694 2.262 . . . . 0.0 112.935 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -75.62 179.93 5.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -153.89 146.91 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.446 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.1 m-85 -132.31 148.9 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.39 22.89 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -154.19 173.19 16.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.8 p -112.42 -22.72 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.57 74.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -74.1 -38.81 63.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.446 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -62.26 -16.76 55.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.2 p -75.2 -42.02 56.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -75.76 -31.95 59.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -63.27 -46.12 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 34.1 mt -68.81 -29.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.91 -31.05 70.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -29.33 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.421 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.2 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . 0.41 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 52.4 t . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.58 0.229 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.81 -24.62 4.01 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.18 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.6 mm-40 -76.23 -26.36 55.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.277 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.572 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.8 p -134.17 176.5 2.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.572 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 68.2 Cg_endo -90.53 -3.72 4.99 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.763 2.309 . . . . 0.0 113.309 -179.368 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -60.94 172.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.695 0.283 . . . . 0.0 110.806 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.38 151.23 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.439 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.2 m-85 -132.23 148.31 52.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 9.9 mtt -98.42 31.43 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -176.44 126.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -26.34 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -47.55 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -81.87 -33.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -59.24 -20.34 53.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 82.5 p -70.09 -43.37 71.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -65.44 -31.87 73.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -63.83 -42.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 38.9 mm -64.29 -29.86 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -37.93 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.742 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.08 -31.44 62.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.8 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.67 0.272 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.1 -21.72 9.09 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.57 2.18 . . . . 0.0 112.611 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.2 mm-40 -98.87 -26.51 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.241 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.558 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.1 p -134.0 174.99 4.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.558 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 70.5 Cg_endo -91.16 -1.84 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.94 2.427 . . . . 0.0 113.012 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.41 161.43 7.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -135.93 148.29 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.448 ' CD1' ' CD2' ' A' ' 612' ' ' LEU . 2.8 m-85 -123.58 164.79 18.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -114.68 16.45 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -158.93 147.78 18.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.709 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.2 m -97.54 24.78 6.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.0 -42.54 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.547 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -85.57 -26.35 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.448 ' CD2' ' CD1' ' A' ' 606' ' ' PHE . 14.8 mt -56.74 -23.71 44.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.094 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 56.4 p -70.38 -40.62 73.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -31.92 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -72.26 -50.64 25.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 13.2 mt -62.04 -29.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -55.17 -45.12 75.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.3 t -74.26 -27.74 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.636 0.255 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.27 -20.43 6.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.594 2.196 . . . . 0.0 112.421 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.2 mt-10 -86.91 -26.78 23.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.51 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.1 p -131.7 172.03 8.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.51 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.5 Cg_endo -89.55 -6.68 5.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.684 2.256 . . . . 0.0 112.745 -179.733 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.9 154.15 31.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.293 . . . . 0.0 110.727 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -129.92 147.54 51.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.446 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -122.76 133.76 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -13.37 61.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.287 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.77 176.95 7.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.13 11.05 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.343 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -91.39 -47.57 7.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.883 0.373 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -75.63 -28.63 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.446 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 1.1 mt -55.21 -24.29 26.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -36.59 84.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -35.47 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -74.08 -44.15 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.94 -41.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.502 -179.554 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -31.79 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -30.24 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.5 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . 0.401 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 52.6 t . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.595 0.236 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.08 -15.62 18.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.524 2.149 . . . . 0.0 112.741 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -92.83 16.76 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.501 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.577 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 16.8 p -176.64 178.03 0.46 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 120.65 0.262 . . . . 0.0 110.749 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.577 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.03 -16.82 1.74 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.943 2.429 . . . . 0.0 112.864 -179.699 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 143.56 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -124.96 149.32 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.429 ' CG ' HD22 ' A' ' 612' ' ' LEU . 10.8 m-85 -125.53 143.93 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 10.0 ptm -97.78 25.75 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -158.38 169.08 25.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 13.7 p -106.34 -27.56 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.26 -47.6 83.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -81.17 -37.64 28.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.029 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.429 HD22 ' CG ' ' A' ' 606' ' ' PHE . 1.4 tm? -61.34 -17.74 55.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 54.7 p -73.72 -40.94 63.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -75.65 -32.02 60.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -60.38 -46.25 90.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 42.5 mt -70.86 -31.05 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.074 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -57.55 -43.62 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.6 t -71.12 -29.8 65.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.401 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 2.1 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 41.5 t . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.493 0.187 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.48 -13.35 38.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.579 2.186 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.03 -23.81 26.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.587 -179.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.593 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.0 p -137.01 179.42 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.718 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.593 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.71 -15.01 2.29 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.672 2.248 . . . . 0.0 112.634 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 131.76 50.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.751 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 153.95 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.94 159.82 28.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.979 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.1 ttm -101.45 29.5 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.18 179.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -26.57 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -47.62 81.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.072 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -34.93 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -17.53 54.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 179.887 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.5 t -73.6 -41.02 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -71.13 -31.95 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -65.4 -43.35 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 12.2 mt -70.78 -31.42 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.086 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -44.88 95.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 8.8 t -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.998 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.563 0.221 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.42 -9.66 10.19 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.685 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -103.18 -26.63 12.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.3 -179.727 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 29.1 p -132.2 174.28 4.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.503 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -89.95 -7.19 4.61 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.75 2.3 . . . . 0.0 112.999 -179.447 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -60.76 157.92 13.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.633 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -132.47 148.72 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.439 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -125.52 138.06 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -6.37 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.61 173.19 11.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 38.4 p -109.84 -27.03 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -47.52 85.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -73.32 -33.88 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -60.2 -19.07 52.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.824 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 5.3 m -72.13 -42.42 66.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -69.02 -31.97 71.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -69.22 -47.53 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 15.6 mt -62.95 -29.68 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -54.88 -42.93 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 13.0 t -72.57 -26.73 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . 0.418 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 47.9 t . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.578 0.227 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.55 -33.97 0.83 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.537 2.158 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.427 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.7 mp0 -62.75 -25.37 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.2 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.568 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.5 p -133.98 176.55 2.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.568 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.36 -14.46 2.6 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.702 2.268 . . . . 0.0 112.743 -179.668 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -61.1 136.59 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -117.48 158.39 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.408 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 5.6 m-85 -128.91 150.72 50.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 4.1 mmt -94.33 18.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -152.11 175.55 12.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.7 p -112.41 -24.94 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -47.53 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -75.98 -33.27 59.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.408 ' HG ' ' CD1' ' A' ' 606' ' ' PHE . 0.9 OUTLIER -65.88 -14.53 61.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 179.897 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 27.7 t -79.32 -37.56 37.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.853 0.358 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.85 64.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.09 -44.24 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.332 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 33.9 mm -57.1 -29.56 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -29.39 53.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.307 -179.738 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 8.3 t -70.9 -31.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 65.0 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 53.0 t . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.547 0.213 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.74 -23.12 4.96 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.559 2.173 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -76.3 -27.02 56.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.544 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.7 p -133.41 174.42 4.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.476 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.544 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -89.81 16.1 1.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 112.815 -179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -79.52 173.81 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -140.86 142.45 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.424 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 8.5 m-85 -125.84 122.1 35.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 32.8 tpp -62.53 -18.35 61.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -133.29 178.19 7.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 47.2 t -112.42 -22.92 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.261 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -55.7 -47.67 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -74.18 -31.27 62.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.424 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 4.4 mt -55.86 -23.65 32.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.751 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -41.06 99.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.705 179.811 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -75.66 -34.49 60.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.21 -43.47 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.433 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 24.0 mt -70.91 -40.23 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.632 -179.496 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 618' ' ' THR . 0.0 OUTLIER -59.62 -39.33 83.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 111.16 -179.682 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 618' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' A' ' 617' ' ' LYS . 12.7 t -70.67 -28.53 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.776 179.823 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.57 0.224 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.78 -28.43 2.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.173 . . . . 0.0 112.417 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.82 -24.49 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.582 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.9 p -135.29 178.09 1.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.582 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.5 Cg_endo -89.61 -13.06 2.85 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.725 2.283 . . . . 0.0 112.74 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.82 149.16 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 110.807 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -117.59 157.62 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.423 ' CG ' HD22 ' A' ' 612' ' ' LEU . 24.1 m-85 -136.35 -43.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.4 mtp 66.25 31.14 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -160.8 99.2 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 45.9 t -58.25 -28.4 64.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -47.6 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -90.47 -35.46 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.423 HD22 ' CG ' ' A' ' 606' ' ' PHE . 3.4 tm? -57.51 -21.02 35.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.733 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.3 m -67.98 -38.92 83.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.777 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -31.98 71.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.85 -38.07 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 15.5 mt -68.14 -33.01 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -60.87 -32.04 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -30.92 44.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.717 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.902 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . 0.408 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 53.8 t . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.536 0.208 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.54 -17.21 10.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.172 . . . . 0.0 112.934 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . 0.427 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -93.09 18.81 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.584 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.574 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.1 p -177.01 176.73 0.5 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.695 179.746 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.574 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 64.8 Cg_endo -90.32 -15.41 1.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.936 2.424 . . . . 0.0 112.878 -179.634 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 138.12 57.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -115.86 156.93 25.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.411 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 7.0 m-85 -127.56 167.94 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -119.36 23.31 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.31 148.42 4.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.747 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.84 20.74 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -100.8 -42.73 6.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.47 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -83.92 -28.83 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.993 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.411 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 2.0 mt -58.55 -21.65 53.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 30.3 m -67.88 -39.88 83.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -75.56 -31.96 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -69.73 -46.44 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.3 -29.88 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -61.25 -32.0 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -30.44 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 599' ' ' CYS . . . . . 0.411 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 54.0 t . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.573 0.225 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.46 -24.72 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.89 -26.62 49.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 602' ' ' CYS . . . . . 0.537 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 25.7 p -134.71 173.96 5.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.771 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 603' ' ' PRO . . . . . 0.537 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.9 Cg_endo -91.26 20.63 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.004 2.469 . . . . 0.0 112.746 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -90.3 150.16 22.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -127.93 154.09 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 2.8 m-85 -132.5 156.64 46.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.6 mtt -98.9 30.06 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -173.45 171.5 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 6.6 t -108.1 -25.14 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -47.69 81.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -77.33 -34.7 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.402 ' HG ' ' CD1' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -60.29 -19.17 53.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.648 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -42.79 70.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -72.51 -31.91 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -66.55 -47.99 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.66 -29.73 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -55.4 -51.82 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.096 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 2.7 t -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 619' ' ' HIS . . . . . 0.411 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 1.5 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 18.4 tttm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -88.84 77.29 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 609' ' ' SER . 34.3 m-85 -84.82 154.99 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -161.92 126.08 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.51 130.08 84.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.86 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.457 2.105 . . . . 0.0 112.628 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.425 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.3 mm-40 -105.63 -27.28 11.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.531 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.0 p -134.11 172.88 6.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.69 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.531 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.8 Cg_endo -89.88 -14.46 2.35 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.877 2.385 . . . . 0.0 112.648 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -61.78 154.21 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -140.84 149.93 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.03 129.7 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.14 -24.12 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -98.36 162.02 13.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 597' ' ' PHE . 0.3 OUTLIER -110.97 -25.92 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.054 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.42 -47.55 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -67.99 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 15.5 mt -58.09 -21.24 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.018 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.3 p -68.79 -44.47 73.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -75.41 -32.0 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -70.34 -50.75 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 16.3 mt -68.68 -29.88 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -53.22 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 -27.29 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER -56.87 -36.78 70.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -96.86 157.29 15.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -140.47 154.39 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -90.21 108.8 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 10.2 tttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.9 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.923 0.392 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.61 30.16 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.403 ' CG ' ' OG ' ' A' ' 609' ' ' SER . 21.9 m-85 -117.75 144.6 45.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -175.75 173.11 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.07 134.08 95.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.32 -22.91 10.62 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.487 2.125 . . . . 0.0 112.574 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.2 0.67 15.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.682 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.41 ' HB3' ' CD ' ' A' ' 603' ' ' PRO . 6.7 m -144.33 170.07 8.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.41 ' CD ' ' HB3' ' A' ' 602' ' ' CYS . 1.0 OUTLIER -84.92 -14.4 6.23 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 123.406 2.737 . . . . 0.0 112.783 -179.34 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 615' ' ' HIS . 2.1 mptp? -52.95 121.99 8.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.07 168.88 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.415 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 52.8 m-85 -146.65 -177.84 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 8.5 mtt -80.98 -32.15 34.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.5 -178.48 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.403 ' OG ' ' CG ' ' A' ' 597' ' ' PHE . 0.4 OUTLIER -98.32 29.1 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 -47.64 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.799 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -81.62 -31.26 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.415 ' HG ' ' CD1' ' A' ' 606' ' ' PHE . 7.7 mt -57.22 -22.3 39.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.4 m -68.35 -31.15 70.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -35.28 66.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . 0.431 ' CE1' ' HG2' ' A' ' 604' ' ' LYS . 69.6 t60 -74.02 -38.02 64.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 8.8 mt -70.9 -46.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.311 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -30.43 69.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.022 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -31.61 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.68 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -61.72 -49.95 74.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 54.61 35.5 23.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.25 -31.66 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.42 101.14 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.91 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -109.91 31.32 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -142.96 149.0 37.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -164.06 142.56 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.51 127.95 58.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.56 -1.18 11.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.488 2.126 . . . . 0.0 112.675 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 10.3 mm-40 -108.48 -27.29 10.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.517 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.7 p -133.9 172.58 7.08 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.684 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.517 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.7 Cg_endo -89.49 -15.68 2.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.842 2.361 . . . . 0.0 112.613 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -62.69 145.76 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . 0.405 ' O ' ' CD1' ' A' ' 606' ' ' PHE . 6.9 mtm180 -127.19 156.5 41.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 605' ' ' ARG . 8.6 m-85 -136.83 152.41 50.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.71 23.99 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -147.39 126.43 12.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.786 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -27.01 59.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.65 -47.5 85.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -67.65 -31.15 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.012 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 10.2 mt -58.97 -20.62 54.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.5 m -73.46 -44.15 58.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -75.69 -32.53 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -72.61 -52.69 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 27.0 mt -65.64 -29.86 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.22 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 8.6 t -70.65 -27.98 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.4 OUTLIER -58.07 -31.03 66.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.921 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -91.35 139.67 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 61.01 155.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -99.73 111.64 23.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.816 0.341 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -138.82 34.31 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -144.34 89.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -147.41 -173.4 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.49 139.92 26.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.04 -24.11 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.596 2.197 . . . . 0.0 112.374 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.417 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.0 mm-40 -83.21 -27.53 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.533 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 29.5 p -133.07 172.8 6.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.706 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.533 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.2 Cg_endo -90.21 -11.1 3.14 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.901 2.4 . . . . 0.0 112.655 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -61.29 138.29 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.798 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.94 156.94 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -129.98 155.82 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -101.21 27.76 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 177.29 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.4 t -112.15 -28.61 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.25 -47.69 84.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.065 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -35.48 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -13.53 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 28.7 t -80.51 -37.32 31.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.62 -31.92 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.32 -36.82 85.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.76 -30.13 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -62.17 -35.58 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -30.15 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.0 m-70 -67.67 -45.32 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 55.4 101.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.054 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -123.0 31.9 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -87.14 141.23 28.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 17.2 pttt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.902 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 3.6 pttt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.783 0.325 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 2.0 tttm 64.1 31.08 13.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.4 79.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -127.3 -173.71 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 141.07 22.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.59 -21.68 4.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 17.7 mt-10 -86.86 -27.26 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.291 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.522 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.3 p -132.14 172.66 7.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.629 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.522 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.19 -6.26 4.68 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.827 2.351 . . . . 0.0 112.798 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -62.27 155.37 25.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.822 0.344 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.36 145.5 47.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -122.0 155.18 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.7 ttm -102.64 31.43 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -169.08 -179.58 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.88 -31.65 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.099 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -35.3 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -13.6 61.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 44.2 t -80.88 -35.06 33.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.36 -41.87 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 41.1 mt -70.72 -31.77 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -60.91 -30.52 70.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.412 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 -61.57 -29.93 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -82.72 132.82 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -113.83 -58.54 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 113.31 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 17.0 mttt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.915 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 7.2 tttt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.54 31.41 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 612' ' ' LEU . 0.4 OUTLIER -154.63 84.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -128.95 166.37 19.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 45.3 t -77.99 131.41 69.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.63 -28.08 2.37 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.226 . . . . 0.0 112.397 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.15 -25.46 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.573 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.3 p -134.7 176.78 2.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 61.2 Cg_endo -90.05 -15.38 2.05 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.818 2.346 . . . . 0.0 112.739 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.46 128.98 38.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -108.0 149.17 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -118.26 144.11 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mmt -97.57 27.94 4.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.9 173.4 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 74.1 m -110.01 -25.08 10.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.58 -47.21 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -73.93 -34.36 64.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.03 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.419 HD12 ' CD2' ' A' ' 597' ' ' PHE . 0.5 OUTLIER -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 52.5 p -76.21 -40.84 51.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.843 0.354 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.05 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -64.17 -48.16 77.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.071 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 30.1 mt -68.78 -31.49 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -60.87 -33.75 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.95 -31.14 58.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -59.87 -31.49 69.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.41 134.45 35.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -142.18 -47.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.19 122.84 28.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.905 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.821 0.343 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 10.9 mttt 59.02 27.08 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.416 ' CG ' ' HB2' ' A' ' 609' ' ' SER . 12.7 m-85 -163.41 -74.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.746 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . 57.53 -177.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.256 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -100.38 116.74 64.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -79.93 2.43 8.42 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.734 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.3 mm-40 -105.11 -27.96 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.72 0.295 . . . . 0.0 111.216 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.445 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 23.2 p -130.09 168.24 17.5 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 74.5 Cg_endo -90.85 83.14 0.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.766 2.311 . . . . 0.0 112.894 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -176.35 139.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 158.46 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.44 ' CD2' ' HG ' ' A' ' 612' ' ' LEU . 4.8 m-85 -124.41 160.08 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 7.9 mmt -58.46 -37.28 75.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.088 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.04 -168.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 597' ' ' PHE . 16.5 t -105.12 28.29 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -47.61 8.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -94.51 -27.37 16.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 606' ' ' PHE . 1.1 mt -52.25 -26.81 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -42.36 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -31.96 60.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -72.37 -43.75 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 10.3 mt -70.83 -29.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -30.67 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 -62.44 -29.75 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -71.85 167.96 18.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.17 98.03 9.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -82.21 98.15 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 1.6 pttp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.875 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.826 0.346 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 1.4 tttp 61.77 33.95 17.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.401 ' CE2' ' OG ' ' A' ' 609' ' ' SER . 10.3 m-85 -91.17 170.23 10.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -149.34 174.12 12.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.14 138.61 20.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.84 -19.84 6.93 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.645 2.23 . . . . 0.0 112.546 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.41 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 30.9 mm-40 -90.26 -26.85 19.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.539 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.5 p -133.49 173.64 5.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.539 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.2 Cg_endo -89.97 -13.59 2.54 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.849 2.366 . . . . 0.0 112.618 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -60.23 141.1 56.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.846 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.73 146.7 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.419 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.0 m-85 -117.94 144.03 45.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.65 10.72 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -146.08 174.79 10.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.401 ' OG ' ' CE2' ' A' ' 597' ' ' PHE . 0.6 OUTLIER -110.14 -26.21 9.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -47.59 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.66 -34.72 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.037 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.419 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -61.81 -17.74 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.737 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -41.27 62.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -31.96 67.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -71.48 -52.53 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.5 mt -63.84 -29.86 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -57.63 -45.67 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 11.6 t -70.94 -27.59 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER -59.01 -30.14 67.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -119.94 133.8 55.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.97 126.18 26.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -94.7 130.42 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.844 0.354 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 3.1 tttp 61.65 49.63 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -79.72 89.93 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -131.07 179.21 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.12 139.77 22.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.28 -24.18 3.2 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.618 2.212 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.4 mm-40 -83.87 -27.97 28.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.525 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.7 p -132.12 172.49 7.29 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.597 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.525 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -90.12 -7.38 4.41 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.879 2.386 . . . . 0.0 112.813 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 163.66 7.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -141.01 154.08 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.42 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.3 m-85 -133.06 176.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.44 29.09 4.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -172.24 120.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 5.4 t -62.86 -21.15 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -56.02 -47.59 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -88.05 -37.01 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.42 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -59.86 -18.64 45.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.3 m -71.09 -42.19 69.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -72.78 -31.89 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -64.87 -44.14 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.25 -29.9 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -55.89 -51.02 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.2 t -62.19 -28.89 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.429 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 -67.43 -47.84 69.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.765 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 57.94 95.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -88.78 -70.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -110.85 141.41 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.891 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.81 0.338 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -21.11 66.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -134.74 144.72 47.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -159.9 154.66 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.46 130.34 39.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.62 -24.35 3.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.567 2.178 . . . . 0.0 112.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -78.26 -28.61 47.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.312 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.53 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.2 p -132.86 173.1 6.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.63 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.53 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 57.6 Cg_endo -89.33 -3.5 5.94 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.748 2.299 . . . . 0.0 112.771 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.27 152.85 42.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -124.97 146.11 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.41 ' CD1' HD22 ' A' ' 612' ' ' LEU . 8.3 m-85 -123.22 157.12 33.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -115.04 26.15 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -168.54 147.7 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.8 p -95.4 21.03 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.4 -45.03 5.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.398 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -82.1 -29.69 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.959 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 606' ' ' PHE . 7.5 mt -59.5 -20.74 57.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.004 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 2.0 t -68.66 -42.44 77.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -75.64 -31.97 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -72.32 -52.6 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.71 -29.91 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -46.17 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.76 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.0 t -70.78 -28.11 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER -58.52 -30.9 67.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -101.65 -49.07 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 60.08 94.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -61.33 143.98 54.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.198 -0.905 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.835 0.35 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 60.12 31.5 20.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 609' ' ' SER . 22.4 m-85 -156.68 111.77 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -150.18 168.11 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 50.1 t -85.48 130.2 52.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.75 -27.81 2.44 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.541 2.161 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.39 -25.47 62.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.575 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.4 p -134.46 176.76 2.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.575 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 65.1 Cg_endo -90.28 -10.77 3.2 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.739 2.293 . . . . 0.0 113.096 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 142.52 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.785 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -119.79 153.79 35.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.447 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.3 m-85 -126.35 141.48 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -20.02 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.51 -174.14 3.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' A' ' 597' ' ' PHE . 1.0 OUTLIER -114.06 -25.24 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.272 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.73 -47.63 79.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -71.0 -32.47 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.447 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 4.5 mt -57.11 -21.91 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.6 p -66.58 -40.4 88.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -31.92 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.72 -44.63 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 9.0 mt -69.63 -29.81 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.158 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -60.59 -31.48 70.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -30.32 48.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -63.19 -32.67 74.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -74.58 105.4 5.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -178.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.91 128.08 49.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -88.57 77.45 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 609' ' ' SER . 45.8 m-85 -145.05 122.23 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -145.28 -179.96 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.1 t -108.84 125.58 31.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -80.37 -27.7 3.34 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.2 -25.74 64.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.257 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.566 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.6 p -134.31 176.12 3.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.566 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.75 -9.1 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.766 2.31 . . . . 0.0 113.062 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 149.97 34.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -131.32 142.65 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.416 ' CG ' HD23 ' A' ' 612' ' ' LEU . 5.3 m-85 -117.27 177.36 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.1 ttp -123.17 29.98 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.77 -179.37 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.422 ' HB2' ' CE2' ' A' ' 597' ' ' PHE . 24.6 t -110.8 -23.1 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.65 -47.6 76.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -84.51 -36.04 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.416 HD23 ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -62.18 -17.17 57.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.06 179.805 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -41.47 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.399 . . . . 0.0 110.737 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -75.74 -32.03 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -61.18 -45.54 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 37.3 mt -68.73 -29.93 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.9 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -30.95 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -63.2 -33.48 75.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.21 123.99 28.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -142.26 161.71 37.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -102.64 148.33 25.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.902 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.794 0.33 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -165.67 66.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.4 ' CD2' ' OG ' ' A' ' 609' ' ' SER . 22.5 m-85 -78.59 -67.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . 58.85 173.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 47.3 t -92.44 133.8 29.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -83.47 -27.1 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.656 2.238 . . . . 0.0 112.49 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.414 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.8 mm-40 -77.35 -27.83 52.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.1 p -133.69 175.96 3.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.0 Cg_endo -91.47 24.65 0.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.802 2.335 . . . . 0.0 113.015 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -81.71 176.1 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.899 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -146.5 143.74 29.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.42 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.6 m-85 -130.21 150.08 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.7 ttp -98.77 29.83 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 142.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.4 ' OG ' ' CD2' ' A' ' 597' ' ' PHE . 3.9 m -82.18 -26.95 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -47.68 83.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.081 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -77.96 -34.79 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.42 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -60.14 -18.9 50.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -41.89 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -65.83 -31.84 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -66.87 -48.45 68.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.03 -29.82 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.232 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -50.6 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.7 t -67.92 -30.7 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.414 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.6 m-70 -62.83 -40.37 97.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -82.97 -51.03 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 61.57 85.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 127.85 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.62 31.34 9.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -133.76 77.02 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -131.01 179.1 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.38 135.56 19.83 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.54 -14.75 12.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.565 2.177 . . . . 0.0 112.628 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.22 -25.38 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.329 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.569 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.9 p -135.78 176.15 3.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.724 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.569 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.67 -15.36 2.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.855 2.37 . . . . 0.0 112.598 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -62.14 117.51 6.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 160.82 21.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.447 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 1.6 m-85 -140.1 -179.88 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.743 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 18.9 mtp -115.11 13.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -143.8 145.52 32.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -21.73 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.26 -47.54 78.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -82.18 -36.43 27.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.422 ' HG ' ' CD1' ' A' ' 606' ' ' PHE . 2.9 mt -60.57 -18.08 50.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 25.9 p -72.95 -42.54 63.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.03 59.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -66.49 -46.94 74.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.82 -29.82 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -57.16 -41.09 78.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 10.9 t -71.72 -27.09 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.21 -32.58 74.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.27 118.6 31.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -138.33 128.83 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.21 111.73 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.829 0.347 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.95 31.8 6.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 57.75 107.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -101.95 119.2 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.89 136.57 90.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.49 -13.22 16.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.535 2.156 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.425 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.1 mm-40 -105.02 -26.55 12.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.254 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.563 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 17.8 p -135.23 175.53 3.55 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.796 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.563 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 63.9 Cg_endo -90.82 -14.02 2.0 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.0 2.467 . . . . 0.0 112.752 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 151.43 24.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -124.9 157.72 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.439 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.3 m-85 -131.2 146.06 52.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mtt -96.8 27.0 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.57 171.38 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.3 m -110.48 -21.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -47.62 80.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -75.19 -38.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -60.13 -18.01 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 45.9 t -72.13 -42.3 66.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.89 0.376 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -31.92 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -68.02 -50.64 54.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 17.9 mt -64.69 -29.84 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -57.19 -46.15 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.0 t -72.06 -27.54 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.1 m-70 -59.02 -30.47 68.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -88.11 -63.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -136.56 149.5 48.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.04 90.14 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -83.4 75.75 9.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -129.33 89.9 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -153.63 -174.55 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 138.31 19.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.4 -25.22 2.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 1.9 mm-40 -80.12 -28.85 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.517 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.8 p -131.28 172.42 7.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.564 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.517 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 66.3 Cg_endo -90.64 17.9 1.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.756 2.304 . . . . 0.0 112.905 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.06 169.02 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 0.0 110.802 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -146.47 145.65 30.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.421 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 13.6 m-85 -131.89 166.68 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 29.4 mtm -118.05 27.22 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.702 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -175.62 152.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -21.31 27.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -47.69 82.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.08 -35.14 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.223 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.421 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -59.57 -18.68 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.0 p -72.5 -39.39 67.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.049 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.45 69.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -65.78 -52.34 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 33.7 mt -62.81 -29.53 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.107 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -38.61 67.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.251 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 14.5 t -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.432 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 -66.02 -30.24 70.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -72.44 95.48 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -99.85 140.45 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -74.45 147.84 41.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.851 0.358 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -97.45 -21.43 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -141.2 -57.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . 61.12 168.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 43.3 t -110.6 116.6 52.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.41 -2.53 12.74 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.494 2.129 . . . . 0.0 112.889 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -105.94 19.07 21.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.587 0.232 . . . . 0.0 111.317 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.574 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.0 p -177.62 175.85 0.53 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.574 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 56.9 Cg_endo -89.32 -13.67 2.84 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.921 2.414 . . . . 0.0 112.735 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 160.71 9.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.801 0.334 . . . . 0.0 110.88 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -137.13 144.97 43.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.435 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.0 m-85 -122.6 144.18 49.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.92 30.17 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.26 172.93 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 3.3 p -109.29 -24.96 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -59.35 -47.55 84.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -78.04 -35.96 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.435 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.6 OUTLIER -60.41 -18.37 50.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.755 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 8.6 t -71.72 -40.4 69.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.761 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -75.59 -31.94 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.41 -50.22 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 17.9 mt -65.98 -30.0 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.65 -36.77 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -30.06 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.745 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.4 m-70 -59.36 -34.06 71.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -71.57 125.19 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -81.75 -177.62 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 111.88 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.9 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -95.56 43.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -134.94 113.89 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -152.29 -175.83 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.3 137.39 23.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -83.56 -24.78 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.97 -27.87 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.529 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.5 p -132.94 172.63 7.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.72 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.529 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.0 Cg_endo -90.07 -6.06 4.83 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.872 2.382 . . . . 0.0 112.726 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -64.19 143.31 57.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.78 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -123.98 144.11 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -119.65 148.32 43.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.03 27.43 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -162.26 -179.4 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.4 p -114.83 -30.8 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -60.73 -46.92 88.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.225 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.91 -36.66 56.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.51 -15.6 58.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 74.9 m -75.98 -39.32 56.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.793 0.33 . . . . 0.0 110.828 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.688 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -65.7 -45.0 84.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 27.3 mt -70.75 -31.72 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -61.55 -29.44 70.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 -30.5 41.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -60.49 -24.77 65.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -58.06 -72.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -151.36 -50.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 99.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.891 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.5 30.05 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -146.64 92.11 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -137.2 179.03 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.38 131.98 21.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.1 -15.9 11.4 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.9 -25.58 19.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.562 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 22.2 p -135.51 175.43 3.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.761 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.562 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 62.0 Cg_endo -90.21 -13.37 2.47 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.874 2.383 . . . . 0.0 112.606 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.29 142.79 54.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -128.94 153.08 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -133.83 164.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 30.3 mtt -103.93 37.01 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -173.58 138.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -23.81 32.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.2 -47.56 78.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.12 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -31.81 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.29 -22.41 41.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -46.6 77.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.751 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -75.7 -31.7 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -74.11 -46.1 44.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.482 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 29.6 mt -70.85 -41.6 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.751 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 14.2 t -69.5 -28.27 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -27.53 61.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.15 111.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -60.86 121.88 13.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -126.65 90.44 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 16.6 tttm . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.896 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 5.4 tptt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.953 0.406 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 10.1 tttt 60.35 34.21 20.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.427 ' CD2' HD11 ' A' ' 612' ' ' LEU . 0.3 OUTLIER -140.33 129.75 24.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -149.79 177.75 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.221 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.7 t -97.17 119.63 62.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.71 -7.4 17.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.456 2.104 . . . . 0.0 112.726 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.421 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 62.1 mm-40 -93.33 -27.41 16.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.53 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.3 p -133.75 173.62 5.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.543 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.53 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.6 Cg_endo -89.4 13.49 2.4 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.694 2.262 . . . . 0.0 112.935 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -75.62 179.93 5.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -153.89 146.91 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.446 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.1 m-85 -132.31 148.9 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.39 22.89 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -154.19 173.19 16.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.407 ' HA ' ' CD2' ' A' ' 597' ' ' PHE . 1.8 p -112.42 -22.72 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.57 74.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -74.1 -38.81 63.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.446 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -62.26 -16.76 55.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.2 p -75.2 -42.02 56.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -75.76 -31.95 59.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -63.27 -46.12 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 34.1 mt -68.81 -29.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.91 -31.05 70.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -29.33 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.421 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.2 m-70 -60.38 -28.7 68.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.02 133.24 51.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -119.31 -44.61 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.24 98.2 11.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 11.8 tttt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.887 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.407 ' HG2' ' CE2' ' A' ' 597' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.844 0.354 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 34.14 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.412 ' CE2' ' HB2' ' A' ' 609' ' ' SER . 26.9 m-85 -112.01 150.22 30.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -157.6 162.48 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 52.4 t -79.67 129.73 70.2 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.81 -24.62 4.01 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.18 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.6 mm-40 -76.23 -26.36 55.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.277 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.572 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.8 p -134.17 176.5 2.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.572 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 68.2 Cg_endo -90.53 -3.72 4.99 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.763 2.309 . . . . 0.0 113.309 -179.368 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -60.94 172.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.695 0.283 . . . . 0.0 110.806 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.38 151.23 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.439 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.2 m-85 -132.23 148.31 52.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 9.9 mtt -98.42 31.43 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -176.44 126.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.412 ' HB2' ' CE2' ' A' ' 597' ' ' PHE . 0.2 OUTLIER -72.08 -26.34 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -47.55 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -81.87 -33.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -59.24 -20.34 53.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 82.5 p -70.09 -43.37 71.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -65.44 -31.87 73.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -63.83 -42.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 38.9 mm -64.29 -29.86 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -37.93 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.742 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.08 -31.44 62.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.8 m-70 -66.13 -35.5 80.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.15 135.51 55.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.85 103.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.92 95.42 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 29.4 tttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -92.99 -15.4 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.358 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 59.08 86.63 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -91.48 119.03 31.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.25 141.06 62.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.1 -21.72 9.09 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.57 2.18 . . . . 0.0 112.611 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.2 mm-40 -98.87 -26.51 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.241 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.558 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.1 p -134.0 174.99 4.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.558 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 70.5 Cg_endo -91.16 -1.84 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.94 2.427 . . . . 0.0 113.012 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.41 161.43 7.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -135.93 148.29 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.448 ' CD1' ' CD2' ' A' ' 612' ' ' LEU . 2.8 m-85 -123.58 164.79 18.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -114.68 16.45 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -158.93 147.78 18.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.709 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.2 m -97.54 24.78 6.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.0 -42.54 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.547 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -85.57 -26.35 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.448 ' CD2' ' CD1' ' A' ' 606' ' ' PHE . 14.8 mt -56.74 -23.71 44.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.094 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 56.4 p -70.38 -40.62 73.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -31.92 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -72.26 -50.64 25.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 13.2 mt -62.04 -29.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -55.17 -45.12 75.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.3 t -74.26 -27.74 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER -65.87 -34.42 78.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.5 143.62 44.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.82 137.13 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.2 140.77 36.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.888 -179.97 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.407 ' HG2' ' CE2' ' A' ' 597' ' ' PHE . 13.6 ptmt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.13 81.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.412 ' CE2' ' HB2' ' A' ' 609' ' ' SER . 19.3 m-85 -85.53 133.26 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -148.61 -178.2 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 139.33 21.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.27 -20.43 6.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.594 2.196 . . . . 0.0 112.421 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.2 mt-10 -86.91 -26.78 23.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.51 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.1 p -131.7 172.03 8.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.51 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.5 Cg_endo -89.55 -6.68 5.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.684 2.256 . . . . 0.0 112.745 -179.733 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.9 154.15 31.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.293 . . . . 0.0 110.727 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -129.92 147.54 51.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.446 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -122.76 133.76 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -13.37 61.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.287 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.77 176.95 7.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.412 ' HB2' ' CE2' ' A' ' 597' ' ' PHE . 0.2 OUTLIER -122.13 11.05 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.343 179.927 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -91.39 -47.57 7.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.883 0.373 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -75.63 -28.63 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.446 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 1.1 mt -55.21 -24.29 26.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -36.59 84.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -35.47 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -74.08 -44.15 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.94 -41.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.502 -179.554 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -31.79 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -30.24 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.5 m-70 -59.81 -29.81 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.12 159.71 33.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.51 108.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -91.47 101.21 13.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.892 -179.948 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.779 0.323 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -126.02 31.31 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -114.45 38.8 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -96.83 -170.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 52.6 t -122.59 121.42 27.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.736 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.08 -15.62 18.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.524 2.149 . . . . 0.0 112.741 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -92.83 16.76 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.501 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.577 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 16.8 p -176.64 178.03 0.46 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 120.65 0.262 . . . . 0.0 110.749 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.577 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.03 -16.82 1.74 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.943 2.429 . . . . 0.0 112.864 -179.699 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 143.56 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -124.96 149.32 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.429 ' CG ' HD22 ' A' ' 612' ' ' LEU . 10.8 m-85 -125.53 143.93 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 10.0 ptm -97.78 25.75 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -158.38 169.08 25.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 13.7 p -106.34 -27.56 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.26 -47.6 83.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -81.17 -37.64 28.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.029 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.429 HD22 ' CG ' ' A' ' 606' ' ' PHE . 1.4 tm? -61.34 -17.74 55.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 54.7 p -73.72 -40.94 63.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -75.65 -32.02 60.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -60.38 -46.25 90.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 42.5 mt -70.86 -31.05 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.074 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -57.55 -43.62 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 9.6 t -71.12 -29.8 65.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -59.59 -30.06 68.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -36.28 59.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -98.54 100.17 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -105.44 133.54 50.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 2.2 tttm . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.886 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.8 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 597' ' ' PHE . 0.6 OUTLIER -147.32 30.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 596' ' ' LYS . 31.1 m-85 -143.72 123.31 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.79 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -153.42 132.99 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.251 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 41.5 t -57.18 108.03 1.11 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.48 -13.35 38.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.579 2.186 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.03 -23.81 26.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.587 -179.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.593 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.0 p -137.01 179.42 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.718 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.593 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.71 -15.01 2.29 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.672 2.248 . . . . 0.0 112.634 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 131.76 50.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.751 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 153.95 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.94 159.82 28.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.979 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.1 ttm -101.45 29.5 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.18 179.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -26.57 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -47.62 81.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.072 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -34.93 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -17.53 54.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 179.887 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.5 t -73.6 -41.02 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -71.13 -31.95 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -65.4 -43.35 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 12.2 mt -70.78 -31.42 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.086 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -44.88 95.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 8.8 t -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -58.13 -40.07 80.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -65.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -59.99 129.24 40.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -117.49 122.31 43.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.843 0.354 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.31 31.71 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -137.44 94.63 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -116.51 -179.02 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.96 134.69 20.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.42 -9.66 10.19 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.685 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -103.18 -26.63 12.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.3 -179.727 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 29.1 p -132.2 174.28 4.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.503 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -89.95 -7.19 4.61 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.75 2.3 . . . . 0.0 112.999 -179.447 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -60.76 157.92 13.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.633 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -132.47 148.72 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.439 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -125.52 138.06 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -6.37 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.61 173.19 11.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 38.4 p -109.84 -27.03 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -47.52 85.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -73.32 -33.88 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -60.2 -19.07 52.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.824 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 5.3 m -72.13 -42.42 66.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -69.02 -31.97 71.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -69.22 -47.53 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 15.6 mt -62.95 -29.68 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -54.88 -42.93 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 13.0 t -72.57 -26.73 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 -64.48 -30.11 71.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -86.64 -54.59 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.13 113.35 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.43 150.24 33.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.825 0.345 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.03 30.71 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . 0.403 ' CD2' HD12 ' A' ' 612' ' ' LEU . 1.2 t80 -152.49 106.13 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.778 179.869 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -150.92 153.68 35.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.235 -179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 47.9 t -58.72 128.72 84.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.55 -33.97 0.83 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.537 2.158 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.427 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.7 mp0 -62.75 -25.37 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.2 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.568 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.5 p -133.98 176.55 2.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.568 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.36 -14.46 2.6 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.702 2.268 . . . . 0.0 112.743 -179.668 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -61.1 136.59 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -117.48 158.39 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.408 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 5.6 m-85 -128.91 150.72 50.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 4.1 mmt -94.33 18.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -152.11 175.55 12.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.7 p -112.41 -24.94 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -47.53 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -75.98 -33.27 59.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.408 ' HG ' ' CD1' ' A' ' 606' ' ' PHE . 0.9 OUTLIER -65.88 -14.53 61.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 179.897 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 27.7 t -79.32 -37.56 37.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.853 0.358 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.85 64.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.09 -44.24 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.332 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 33.9 mm -57.1 -29.56 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -29.39 53.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.307 -179.738 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 8.3 t -70.9 -31.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 65.0 m-70 -83.15 -35.6 25.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -126.93 118.3 24.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -93.92 -61.76 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.0 133.48 52.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.854 179.963 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.799 0.333 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 60.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -99.52 147.17 25.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -166.09 174.26 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 53.0 t -96.34 128.91 34.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.96 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.74 -23.12 4.96 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.559 2.173 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -76.3 -27.02 56.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.544 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.7 p -133.41 174.42 4.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.476 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.544 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -89.81 16.1 1.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 112.815 -179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -79.52 173.81 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -140.86 142.45 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.424 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 8.5 m-85 -125.84 122.1 35.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 32.8 tpp -62.53 -18.35 61.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -133.29 178.19 7.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 47.2 t -112.42 -22.92 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.261 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -55.7 -47.67 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -74.18 -31.27 62.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.424 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 4.4 mt -55.86 -23.65 32.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.751 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -41.06 99.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.705 179.811 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -75.66 -34.49 60.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.21 -43.47 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.433 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 24.0 mt -70.91 -40.23 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.632 -179.496 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 618' ' ' THR . 0.0 OUTLIER -59.62 -39.33 83.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 111.16 -179.682 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 618' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' A' ' 617' ' ' LYS . 12.7 t -70.67 -28.53 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -60.1 -33.12 71.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.776 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -91.83 120.29 32.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.11 119.24 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -96.18 145.48 25.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.895 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 13.0 pttp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.885 0.374 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.13 30.43 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -97.78 57.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -93.8 173.14 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.66 130.95 53.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.78 -28.43 2.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.173 . . . . 0.0 112.417 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.82 -24.49 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.582 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.9 p -135.29 178.09 1.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.582 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.5 Cg_endo -89.61 -13.06 2.85 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.725 2.283 . . . . 0.0 112.74 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.82 149.16 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 110.807 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -117.59 157.62 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.423 ' CG ' HD22 ' A' ' 612' ' ' LEU . 24.1 m-85 -136.35 -43.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.4 mtp 66.25 31.14 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -160.8 99.2 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 45.9 t -58.25 -28.4 64.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -47.6 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -90.47 -35.46 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.423 HD22 ' CG ' ' A' ' 606' ' ' PHE . 3.4 tm? -57.51 -21.02 35.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.733 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.3 m -67.98 -38.92 83.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.777 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -31.98 71.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.85 -38.07 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 15.5 mt -68.14 -33.01 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -60.87 -32.04 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -30.92 44.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.717 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -64.36 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -113.05 111.85 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.6 127.36 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -93.4 140.28 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.928 179.987 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.904 0.383 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 34.44 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -134.41 115.32 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.786 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -155.51 -169.97 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.29 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 53.8 t -114.12 127.61 26.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.76 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.54 -17.21 10.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.172 . . . . 0.0 112.934 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.427 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -93.09 18.81 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.584 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.574 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.1 p -177.01 176.73 0.5 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.695 179.746 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.574 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 64.8 Cg_endo -90.32 -15.41 1.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.936 2.424 . . . . 0.0 112.878 -179.634 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 138.12 57.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -115.86 156.93 25.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.411 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 7.0 m-85 -127.56 167.94 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -119.36 23.31 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.31 148.42 4.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.747 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.84 20.74 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -100.8 -42.73 6.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.47 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -83.92 -28.83 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.993 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.411 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 2.0 mt -58.55 -21.65 53.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 30.3 m -67.88 -39.88 83.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -75.56 -31.96 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -69.73 -46.44 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.3 -29.88 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -61.25 -32.0 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -30.44 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.4 m-70 -60.99 -27.88 68.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -81.38 60.31 4.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -135.56 -47.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -126.56 89.37 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.801 0.334 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -98.82 31.13 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -128.16 68.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -116.15 137.93 51.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.51 133.54 95.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.46 -24.72 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.89 -26.62 49.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 602' ' ' CYS . . . . . 0.537 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 25.7 p -134.71 173.96 5.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.771 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.537 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.9 Cg_endo -91.26 20.63 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.004 2.469 . . . . 0.0 112.746 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -90.3 150.16 22.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -127.93 154.09 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 2.8 m-85 -132.5 156.64 46.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.6 mtt -98.9 30.06 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -173.45 171.5 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 6.6 t -108.1 -25.14 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -47.69 81.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -77.33 -34.7 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.402 ' HG ' ' CD1' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -60.29 -19.17 53.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.648 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -42.79 70.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -72.51 -31.91 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -66.55 -47.99 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.66 -29.73 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -55.4 -51.82 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.096 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 2.7 t -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -59.71 -43.43 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -64.98 80.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.68 91.68 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.06 152.47 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.581 0.229 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.86 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.457 2.105 . . . . 0.0 112.628 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.3 mm-40 -105.63 -27.28 11.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.0 p -134.11 172.88 6.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.69 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.541 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.8 Cg_endo -89.88 -14.46 2.35 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.877 2.385 . . . . 0.0 112.648 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -61.78 154.21 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -140.84 149.93 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.03 129.7 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.14 -24.12 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -98.36 162.02 13.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' SER . . . . . 0.566 ' HA ' HD12 ' A' ' 612' ' ' LEU . 0.3 OUTLIER -110.97 -25.92 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.054 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.42 -47.55 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -67.99 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 609' ' ' SER . 15.5 mt -58.09 -21.24 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.018 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.3 p -68.79 -44.47 73.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -75.41 -32.0 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -70.34 -50.75 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 612' ' ' LEU . 16.3 mt -68.68 -29.88 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -53.22 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 -27.29 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.442 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.536 0.208 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.32 -22.91 10.62 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.487 2.125 . . . . 0.0 112.574 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.2 0.67 15.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.682 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.43 ' HB3' ' CD ' ' A' ' 603' ' ' PRO . 6.7 m -144.33 170.07 8.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' ' 602' ' ' CYS . 1.0 OUTLIER -84.92 -14.4 6.23 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 123.406 2.737 . . . . 0.0 112.783 -179.34 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 604' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 615' ' ' HIS . 2.1 mptp? -52.95 121.99 8.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.07 168.88 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.419 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 52.8 m-85 -146.65 -177.84 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 8.5 mtt -80.98 -32.15 34.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.5 -178.48 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.32 29.1 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 -47.64 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.799 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -81.62 -31.26 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.419 ' HG ' ' CD1' ' A' ' 606' ' ' PHE . 7.7 mt -57.22 -22.3 39.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.4 m -68.35 -31.15 70.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -35.28 66.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.416 ' CE1' ' HG2' ' A' ' 604' ' ' LYS . 69.6 t60 -74.02 -38.02 64.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 8.8 mt -70.9 -46.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.311 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 617' ' ' LYS . . . . . 0.45 ' HE3' HG23 ' A' ' 618' ' ' THR . 0.0 OUTLIER -60.75 -30.43 69.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.022 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.45 HG23 ' HE3' ' A' ' 617' ' ' LYS . 0.1 OUTLIER -67.11 -31.61 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.68 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.83 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.599 0.238 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.56 -1.18 11.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.488 2.126 . . . . 0.0 112.675 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 10.3 mm-40 -108.48 -27.29 10.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.7 p -133.9 172.58 7.08 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.684 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.7 Cg_endo -89.49 -15.68 2.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.842 2.361 . . . . 0.0 112.613 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -62.69 145.76 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' ARG . . . . . 0.405 ' O ' ' CD1' ' A' ' 606' ' ' PHE . 6.9 mtm180 -127.19 156.5 41.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 605' ' ' ARG . 8.6 m-85 -136.83 152.41 50.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.71 23.99 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -147.39 126.43 12.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.786 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -27.01 59.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.65 -47.5 85.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -67.65 -31.15 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.012 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.538 HD22 HD11 ' A' ' 616' ' ' ILE . 10.2 mt -58.97 -20.62 54.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.5 m -73.46 -44.15 58.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -75.69 -32.53 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 618' ' ' THR . 19.6 t60 -72.61 -52.69 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.538 HD11 HD22 ' A' ' 612' ' ' LEU . 27.0 mt -65.64 -29.86 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.22 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.6 t -70.65 -27.98 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.44 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.628 0.251 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.04 -24.11 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.596 2.197 . . . . 0.0 112.374 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.425 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.0 mm-40 -83.21 -27.53 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.553 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 29.5 p -133.07 172.8 6.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.706 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.553 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.2 Cg_endo -90.21 -11.1 3.14 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.901 2.4 . . . . 0.0 112.655 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -61.29 138.29 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.798 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.94 156.94 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -129.98 155.82 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -101.21 27.76 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 177.29 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.4 t -112.15 -28.61 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.25 -47.69 84.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.065 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -35.48 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 612' ' ' LEU . 0.7 OUTLIER -66.48 -13.53 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 28.7 t -80.51 -37.32 31.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.62 -31.92 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.32 -36.82 85.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.76 -30.13 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -62.17 -35.58 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -30.15 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.0 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.71 0.29 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.59 -21.68 4.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 17.7 mt-10 -86.86 -27.26 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.291 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.531 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.3 p -132.14 172.66 7.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.629 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.531 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.19 -6.26 4.68 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.827 2.351 . . . . 0.0 112.798 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -62.27 155.37 25.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.822 0.344 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.36 145.5 47.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -122.0 155.18 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.7 ttm -102.64 31.43 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -169.08 -179.58 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.88 -31.65 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.099 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -35.3 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.683 HD22 HD11 ' A' ' 616' ' ' ILE . 0.9 OUTLIER -66.69 -13.6 61.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 44.2 t -80.88 -35.06 33.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.36 -41.87 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.683 HD11 HD22 ' A' ' 612' ' ' LEU . 41.1 mt -70.72 -31.77 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -60.91 -30.52 70.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.409 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 45.3 t . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.559 0.219 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.63 -28.08 2.37 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.226 . . . . 0.0 112.397 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.15 -25.46 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.579 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.3 p -134.7 176.78 2.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.579 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 61.2 Cg_endo -90.05 -15.38 2.05 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.818 2.346 . . . . 0.0 112.739 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.46 128.98 38.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -108.0 149.17 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -118.26 144.11 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mmt -97.57 27.94 4.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.9 173.4 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 74.1 m -110.01 -25.08 10.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.58 -47.21 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -73.93 -34.36 64.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.03 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.766 HD22 HD11 ' A' ' 616' ' ' ILE . 0.5 OUTLIER -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 52.5 p -76.21 -40.84 51.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.843 0.354 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.05 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -64.17 -48.16 77.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.071 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.766 HD11 HD22 ' A' ' 612' ' ' LEU . 30.1 mt -68.78 -31.49 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -60.87 -33.75 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.95 -31.14 58.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.409 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 2.7 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 606' ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.495 0.188 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -79.93 2.43 8.42 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.734 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.445 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.3 mm-40 -105.11 -27.96 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.72 0.295 . . . . 0.0 111.216 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.481 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 23.2 p -130.09 168.24 17.5 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 74.5 Cg_endo -90.85 83.14 0.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.766 2.311 . . . . 0.0 112.894 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -176.35 139.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 158.46 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.446 ' CD2' ' HG ' ' A' ' 612' ' ' LEU . 4.8 m-85 -124.41 160.08 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 7.9 mmt -58.46 -37.28 75.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.088 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.04 -168.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 16.5 t -105.12 28.29 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -47.61 8.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -94.51 -27.37 16.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 616' ' ' ILE . 1.1 mt -52.25 -26.81 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -42.36 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -31.96 60.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -72.37 -43.75 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.637 HD11 HD22 ' A' ' 612' ' ' LEU . 10.3 mt -70.83 -29.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -30.67 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.65 0.262 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.84 -19.84 6.93 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.645 2.23 . . . . 0.0 112.546 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 30.9 mm-40 -90.26 -26.85 19.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.549 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.5 p -133.49 173.64 5.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.2 Cg_endo -89.97 -13.59 2.54 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.849 2.366 . . . . 0.0 112.618 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -60.23 141.1 56.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.846 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.73 146.7 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.428 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.0 m-85 -117.94 144.03 45.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.65 10.72 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -146.08 174.79 10.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.14 -26.21 9.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -47.59 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.66 -34.72 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.037 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.98 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -61.81 -17.74 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.737 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -41.27 62.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -31.96 67.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.746 ' O ' HG22 ' A' ' 618' ' ' THR . 20.7 t60 -71.48 -52.53 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.98 HD11 HD22 ' A' ' 612' ' ' LEU . 39.5 mt -63.84 -29.86 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.054 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -57.63 -45.67 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 615' ' ' HIS . 11.6 t -70.94 -27.59 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.663 0.268 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.28 -24.18 3.2 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.618 2.212 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.4 mm-40 -83.87 -27.97 28.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.544 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 30.7 p -132.12 172.49 7.29 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.597 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -90.12 -7.38 4.41 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.879 2.386 . . . . 0.0 112.813 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 163.66 7.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -141.01 154.08 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.432 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.3 m-85 -133.06 176.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.44 29.09 4.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -172.24 120.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 5.4 t -62.86 -21.15 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -56.02 -47.59 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -88.05 -37.01 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.432 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -59.86 -18.64 45.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.3 m -71.09 -42.19 69.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -72.78 -31.89 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.706 ' O ' HG22 ' A' ' 618' ' ' THR . 16.9 t60 -64.87 -44.14 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.25 -29.9 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -55.89 -51.02 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.2 t -62.19 -28.89 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.765 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.602 0.239 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.62 -24.35 3.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.567 2.178 . . . . 0.0 112.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -78.26 -28.61 47.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.312 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.2 p -132.86 173.1 6.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.63 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.541 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 57.6 Cg_endo -89.33 -3.5 5.94 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.748 2.299 . . . . 0.0 112.771 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.27 152.85 42.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -124.97 146.11 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.403 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 8.3 m-85 -123.22 157.12 33.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -115.04 26.15 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -168.54 147.7 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.8 p -95.4 21.03 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.4 -45.03 5.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.398 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -82.1 -29.69 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.959 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.403 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 7.5 mt -59.5 -20.74 57.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.004 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 2.0 t -68.66 -42.44 77.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -75.64 -31.97 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.673 ' O ' HG22 ' A' ' 618' ' ' THR . 18.4 t60 -72.32 -52.6 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.71 -29.91 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -46.17 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.76 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.0 t -70.78 -28.11 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 50.1 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.551 0.215 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.75 -27.81 2.44 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.541 2.161 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.39 -25.47 62.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.584 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.4 p -134.46 176.76 2.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.584 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 65.1 Cg_endo -90.28 -10.77 3.2 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.739 2.293 . . . . 0.0 113.096 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 142.52 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.785 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -119.79 153.79 35.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.3 m-85 -126.35 141.48 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -20.02 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.51 -174.14 3.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.06 -25.24 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.272 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.73 -47.63 79.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -71.0 -32.47 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 616' ' ' ILE . 4.5 mt -57.11 -21.91 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.6 p -66.58 -40.4 88.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -31.92 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.72 -44.63 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 612' ' ' LEU . 9.0 mt -69.63 -29.81 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.158 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -60.59 -31.48 70.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -30.32 48.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.404 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 49.1 t . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.511 0.196 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -80.37 -27.7 3.34 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.2 -25.74 64.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.257 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.577 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.6 p -134.31 176.12 3.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.577 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.75 -9.1 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.766 2.31 . . . . 0.0 113.062 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 149.97 34.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -131.32 142.65 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.515 ' CG ' HD23 ' A' ' 612' ' ' LEU . 5.3 m-85 -117.27 177.36 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.1 ttp -123.17 29.98 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.77 -179.37 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 24.6 t -110.8 -23.1 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.65 -47.6 76.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -84.51 -36.04 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.744 ' O ' HD13 ' A' ' 612' ' ' LEU . 0.5 OUTLIER -62.18 -17.17 57.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.06 179.805 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -41.47 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.399 . . . . 0.0 110.737 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -75.74 -32.03 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -61.18 -45.54 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.644 HD11 ' CD1' ' A' ' 612' ' ' LEU . 37.3 mt -68.73 -29.93 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.9 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -30.95 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.404 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 4.6 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.412 ' CB ' ' HG ' ' A' ' 602' ' ' CYS . 47.3 t . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.608 0.242 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -83.47 -27.1 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.656 2.238 . . . . 0.0 112.49 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.8 mm-40 -77.35 -27.83 52.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.558 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.1 p -133.69 175.96 3.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.558 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.0 Cg_endo -91.47 24.65 0.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.802 2.335 . . . . 0.0 113.015 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -81.71 176.1 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.899 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -146.5 143.74 29.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.431 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.6 m-85 -130.21 150.08 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 607' ' ' MET . . . . . 0.401 ' HE2' ' HB3' ' A' ' 607' ' ' MET . 5.7 ttp -98.77 29.83 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 142.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 3.9 m -82.18 -26.95 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -47.68 83.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.081 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -77.96 -34.79 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.431 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -60.14 -18.9 50.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -41.89 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -65.83 -31.84 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.696 ' O ' HG22 ' A' ' 618' ' ' THR . 40.3 t60 -66.87 -48.45 68.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 612' ' ' LEU . 33.3 mm -59.03 -29.82 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.232 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -50.6 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.7 t -67.92 -30.7 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.623 0.249 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.54 -14.75 12.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.565 2.177 . . . . 0.0 112.628 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.22 -25.38 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.329 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.579 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.9 p -135.78 176.15 3.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.724 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.579 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.67 -15.36 2.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.855 2.37 . . . . 0.0 112.598 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -62.14 117.51 6.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 160.82 21.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.447 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 1.6 m-85 -140.1 -179.88 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.743 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 18.9 mtp -115.11 13.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -143.8 145.52 32.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -21.73 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.26 -47.54 78.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -82.18 -36.43 27.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 616' ' ' ILE . 2.9 mt -60.57 -18.08 50.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 25.9 p -72.95 -42.54 63.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.03 59.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.761 ' O ' HG22 ' A' ' 618' ' ' THR . 8.6 t60 -66.49 -46.94 74.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 612' ' ' LEU . 15.2 mt -70.82 -29.82 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -57.16 -41.09 78.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 615' ' ' HIS . 10.9 t -71.72 -27.09 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.649 0.262 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.49 -13.22 16.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.535 2.156 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.1 mm-40 -105.02 -26.55 12.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.254 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.57 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 17.8 p -135.23 175.53 3.55 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.796 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.57 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 63.9 Cg_endo -90.82 -14.02 2.0 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.0 2.467 . . . . 0.0 112.752 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 151.43 24.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -124.9 157.72 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.448 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.3 m-85 -131.2 146.06 52.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mtt -96.8 27.0 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.57 171.38 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.3 m -110.48 -21.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -47.62 80.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -75.19 -38.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.967 HD22 HD11 ' A' ' 616' ' ' ILE . 0.5 OUTLIER -60.13 -18.01 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 45.9 t -72.13 -42.3 66.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.89 0.376 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -31.92 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.674 ' O ' HG22 ' A' ' 618' ' ' THR . 83.7 t60 -68.02 -50.64 54.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.967 HD11 HD22 ' A' ' 612' ' ' LEU . 17.9 mt -64.69 -29.84 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -57.19 -46.15 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.0 t -72.06 -27.54 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.429 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.1 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.653 0.263 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.4 -25.22 2.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 1.9 mm-40 -80.12 -28.85 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.525 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.8 p -131.28 172.42 7.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.564 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.525 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 66.3 Cg_endo -90.64 17.9 1.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.756 2.304 . . . . 0.0 112.905 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.06 169.02 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 0.0 110.802 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -146.47 145.65 30.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.429 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 13.6 m-85 -131.89 166.68 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 29.4 mtm -118.05 27.22 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.702 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -175.62 152.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -21.31 27.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -47.69 82.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.08 -35.14 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.223 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.739 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -59.57 -18.68 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.0 p -72.5 -39.39 67.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.049 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.45 69.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.902 ' O ' HG22 ' A' ' 618' ' ' THR . 10.2 t60 -65.78 -52.34 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.739 HD11 HD22 ' A' ' 612' ' ' LEU . 33.7 mt -62.81 -29.53 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.107 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -38.61 67.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.251 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 615' ' ' HIS . 14.5 t -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 43.3 t . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.564 0.221 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.41 -2.53 12.74 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.494 2.129 . . . . 0.0 112.889 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -105.94 19.07 21.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.587 0.232 . . . . 0.0 111.317 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.585 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.0 p -177.62 175.85 0.53 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.585 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 56.9 Cg_endo -89.32 -13.67 2.84 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.921 2.414 . . . . 0.0 112.735 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 160.71 9.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.801 0.334 . . . . 0.0 110.88 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -137.13 144.97 43.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.445 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.0 m-85 -122.6 144.18 49.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.92 30.17 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.26 172.93 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 3.3 p -109.29 -24.96 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -59.35 -47.55 84.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -78.04 -35.96 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.987 HD22 HD11 ' A' ' 616' ' ' ILE . 0.6 OUTLIER -60.41 -18.37 50.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.755 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 8.6 t -71.72 -40.4 69.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.761 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -75.59 -31.94 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.41 -50.22 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.987 HD11 HD22 ' A' ' 612' ' ' LEU . 17.9 mt -65.98 -30.0 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.65 -36.77 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -30.06 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.745 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.4 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.634 0.254 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -83.56 -24.78 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.97 -27.87 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.538 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.5 p -132.94 172.63 7.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.72 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.538 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.0 Cg_endo -90.07 -6.06 4.83 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.872 2.382 . . . . 0.0 112.726 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -64.19 143.31 57.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.78 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -123.98 144.11 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -119.65 148.32 43.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.03 27.43 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -162.26 -179.4 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.4 p -114.83 -30.8 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -60.73 -46.92 88.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.225 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.91 -36.66 56.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 616' ' ' ILE . 0.7 OUTLIER -63.51 -15.6 58.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.66 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 74.9 m -75.98 -39.32 56.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.793 0.33 . . . . 0.0 110.828 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.688 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -65.7 -45.0 84.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 612' ' ' LEU . 27.3 mt -70.75 -31.72 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -61.55 -29.44 70.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 -30.5 41.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.595 0.236 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.1 -15.9 11.4 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.9 -25.58 19.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.573 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 22.2 p -135.51 175.43 3.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.761 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 62.0 Cg_endo -90.21 -13.37 2.47 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.874 2.383 . . . . 0.0 112.606 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.29 142.79 54.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -128.94 153.08 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -133.83 164.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 30.3 mtt -103.93 37.01 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -173.58 138.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -23.81 32.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.2 -47.56 78.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.12 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -31.81 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 616' ' ' ILE . 10.6 mt -57.29 -22.41 41.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -46.6 77.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.751 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -75.7 -31.7 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.562 ' O ' HG22 ' A' ' 618' ' ' THR . 9.0 t60 -74.11 -46.1 44.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.482 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.413 HD11 HD22 ' A' ' 612' ' ' LEU . 29.6 mt -70.85 -41.6 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.751 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 615' ' ' HIS . 14.2 t -69.5 -28.27 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.531 0.205 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.71 -7.4 17.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.456 2.104 . . . . 0.0 112.726 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 62.1 mm-40 -93.33 -27.41 16.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.548 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.3 p -133.75 173.62 5.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.543 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.548 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.6 Cg_endo -89.4 13.49 2.4 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.694 2.262 . . . . 0.0 112.935 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -75.62 179.93 5.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -153.89 146.91 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.456 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.1 m-85 -132.31 148.9 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.39 22.89 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -154.19 173.19 16.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.8 p -112.42 -22.72 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.57 74.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -74.1 -38.81 63.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.456 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -62.26 -16.76 55.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.2 p -75.2 -42.02 56.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -75.76 -31.95 59.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -63.27 -46.12 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.421 HD11 HD22 ' A' ' 612' ' ' LEU . 34.1 mt -68.81 -29.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.91 -31.05 70.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -29.33 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.2 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.41 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 52.4 t . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.58 0.229 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.81 -24.62 4.01 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.18 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.6 mm-40 -76.23 -26.36 55.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.277 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.583 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.8 p -134.17 176.5 2.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 68.2 Cg_endo -90.53 -3.72 4.99 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.763 2.309 . . . . 0.0 113.309 -179.368 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -60.94 172.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.695 0.283 . . . . 0.0 110.806 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.38 151.23 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.2 m-85 -132.23 148.31 52.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 9.9 mtt -98.42 31.43 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 608' ' ' ARG . . . . . 0.401 ' HD3' ' CD2' ' A' ' 611' ' ' HIS . 5.9 ttt180 -176.44 126.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -26.34 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -47.55 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 611' ' ' HIS . . . . . 0.401 ' CD2' ' HD3' ' A' ' 608' ' ' ARG . 93.7 m-70 -81.87 -33.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.451 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -59.24 -20.34 53.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 82.5 p -70.09 -43.37 71.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -65.44 -31.87 73.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -63.83 -42.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 38.9 mm -64.29 -29.86 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -37.93 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.742 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.08 -31.44 62.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.8 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.67 0.272 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.1 -21.72 9.09 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.57 2.18 . . . . 0.0 112.611 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.454 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.2 mm-40 -98.87 -26.51 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.241 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.562 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.1 p -134.0 174.99 4.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.562 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 70.5 Cg_endo -91.16 -1.84 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.94 2.427 . . . . 0.0 113.012 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.41 161.43 7.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -135.93 148.29 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.645 ' CD1' HD21 ' A' ' 612' ' ' LEU . 2.8 m-85 -123.58 164.79 18.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -114.68 16.45 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -158.93 147.78 18.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.709 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.2 m -97.54 24.78 6.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.0 -42.54 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.547 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -85.57 -26.35 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.645 HD21 ' CD1' ' A' ' 606' ' ' PHE . 14.8 mt -56.74 -23.71 44.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.094 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 56.4 p -70.38 -40.62 73.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -31.92 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 618' ' ' THR . 33.6 t60 -72.26 -50.64 25.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 612' ' ' LEU . 13.2 mt -62.04 -29.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -55.17 -45.12 75.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.3 t -74.26 -27.74 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.454 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.636 0.255 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.27 -20.43 6.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.594 2.196 . . . . 0.0 112.421 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.2 mt-10 -86.91 -26.78 23.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.534 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.1 p -131.7 172.03 8.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.534 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.5 Cg_endo -89.55 -6.68 5.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.684 2.256 . . . . 0.0 112.745 -179.733 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.9 154.15 31.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.293 . . . . 0.0 110.727 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -129.92 147.54 51.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -122.76 133.76 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -13.37 61.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.287 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.77 176.95 7.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.13 11.05 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.343 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -91.39 -47.57 7.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.883 0.373 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -75.63 -28.63 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 616' ' ' ILE . 1.1 mt -55.21 -24.29 26.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -36.59 84.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -35.47 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -74.08 -44.15 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.652 HD11 HD22 ' A' ' 612' ' ' LEU . 12.3 mt -67.94 -41.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.502 -179.554 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -31.79 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -30.24 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.443 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.5 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.401 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 52.6 t . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.595 0.236 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.08 -15.62 18.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.524 2.149 . . . . 0.0 112.741 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -92.83 16.76 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.501 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.584 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 16.8 p -176.64 178.03 0.46 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 120.65 0.262 . . . . 0.0 110.749 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.584 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.03 -16.82 1.74 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.943 2.429 . . . . 0.0 112.864 -179.699 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 143.56 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -124.96 149.32 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.619 ' HB2' HD23 ' A' ' 612' ' ' LEU . 10.8 m-85 -125.53 143.93 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 10.0 ptm -97.78 25.75 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -158.38 169.08 25.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 13.7 p -106.34 -27.56 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.26 -47.6 83.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -81.17 -37.64 28.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.029 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.837 ' O ' HD13 ' A' ' 612' ' ' LEU . 1.4 tm? -61.34 -17.74 55.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 54.7 p -73.72 -40.94 63.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -75.65 -32.02 60.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.645 ' O ' HG22 ' A' ' 618' ' ' THR . 13.9 t60 -60.38 -46.25 90.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.711 HD11 ' CD1' ' A' ' 612' ' ' LEU . 42.5 mt -70.86 -31.05 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -57.55 -43.62 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.6 t -71.12 -29.8 65.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.401 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 2.1 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.447 ' HG ' ' CD2' ' A' ' 619' ' ' HIS . 41.5 t . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.493 0.187 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.48 -13.35 38.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.579 2.186 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.03 -23.81 26.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.587 -179.576 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.601 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.0 p -137.01 179.42 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.718 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.601 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.71 -15.01 2.29 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.672 2.248 . . . . 0.0 112.634 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 131.76 50.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.751 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 153.95 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.94 159.82 28.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.979 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.1 ttm -101.45 29.5 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.18 179.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -26.57 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -47.62 81.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.072 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -34.93 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 616' ' ' ILE . 0.6 OUTLIER -61.48 -17.53 54.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 179.887 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.5 t -73.6 -41.02 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -71.13 -31.95 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.638 ' O ' HG22 ' A' ' 618' ' ' THR . 41.8 t60 -65.4 -43.35 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.497 HD11 HD22 ' A' ' 612' ' ' LEU . 12.2 mt -70.78 -31.42 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -44.88 95.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.8 t -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.447 ' CD2' ' HG ' ' A' ' 599' ' ' CYS . 1.3 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.563 0.221 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.42 -9.66 10.19 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.685 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -103.18 -26.63 12.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.3 -179.727 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.554 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 29.1 p -132.2 174.28 4.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.503 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.554 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -89.95 -7.19 4.61 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.75 2.3 . . . . 0.0 112.999 -179.447 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -60.76 157.92 13.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.633 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -132.47 148.72 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.448 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -125.52 138.06 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -6.37 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.61 173.19 11.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 38.4 p -109.84 -27.03 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -47.52 85.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -73.32 -33.88 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.448 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -60.2 -19.07 52.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.824 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 5.3 m -72.13 -42.42 66.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -69.02 -31.97 71.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.821 ' O ' HG22 ' A' ' 618' ' ' THR . 28.5 t60 -69.22 -47.53 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.042 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.412 HD11 HD22 ' A' ' 612' ' ' LEU . 15.6 mt -62.95 -29.68 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -54.88 -42.93 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.821 HG22 ' O ' ' A' ' 615' ' ' HIS . 13.0 t -72.57 -26.73 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.418 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 47.9 t . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.578 0.227 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.55 -33.97 0.83 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.537 2.158 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.7 mp0 -62.75 -25.37 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.2 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.58 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.5 p -133.98 176.55 2.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.58 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.36 -14.46 2.6 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.702 2.268 . . . . 0.0 112.743 -179.668 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -61.1 136.59 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -117.48 158.39 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 5.6 m-85 -128.91 150.72 50.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 4.1 mmt -94.33 18.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -152.11 175.55 12.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.7 p -112.41 -24.94 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -47.53 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -75.98 -33.27 59.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 612' ' ' LEU . 0.9 OUTLIER -65.88 -14.53 61.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 179.897 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 27.7 t -79.32 -37.56 37.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.853 0.358 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.85 64.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.88 ' O ' HG22 ' A' ' 618' ' ' THR . 69.3 t60 -60.09 -44.24 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.332 -179.789 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 33.9 mm -57.1 -29.56 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -29.39 53.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.307 -179.738 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.88 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.3 t -70.9 -31.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 65.0 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.4 ' CB ' ' HG ' ' A' ' 602' ' ' CYS . 53.0 t . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.547 0.213 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.74 -23.12 4.96 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.559 2.173 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -76.3 -27.02 56.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.556 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.7 p -133.41 174.42 4.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.476 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.556 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -89.81 16.1 1.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 112.815 -179.577 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -79.52 173.81 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -140.86 142.45 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.427 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 8.5 m-85 -125.84 122.1 35.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 32.8 tpp -62.53 -18.35 61.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -133.29 178.19 7.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 47.2 t -112.42 -22.92 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.261 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -55.7 -47.67 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -74.18 -31.27 62.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 616' ' ' ILE . 4.4 mt -55.86 -23.65 32.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.751 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -41.06 99.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.705 179.811 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -75.66 -34.49 60.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 618' ' ' THR . 60.9 t60 -74.21 -43.47 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.433 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.441 HD11 HD22 ' A' ' 612' ' ' LEU . 24.0 mt -70.91 -40.23 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.632 -179.496 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 617' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 618' ' ' THR . 0.0 OUTLIER -59.62 -39.33 83.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 111.16 -179.682 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 615' ' ' HIS . 12.7 t -70.67 -28.53 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.776 179.823 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.48 ' HB3' ' HG ' ' A' ' 602' ' ' CYS . 42.0 t . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.57 0.224 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.78 -28.43 2.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.173 . . . . 0.0 112.417 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.82 -24.49 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.593 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.9 p -135.29 178.09 1.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.593 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.5 Cg_endo -89.61 -13.06 2.85 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.725 2.283 . . . . 0.0 112.74 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.82 149.16 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 110.807 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -117.59 157.62 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.505 ' CD1' HD23 ' A' ' 612' ' ' LEU . 24.1 m-85 -136.35 -43.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.4 mtp 66.25 31.14 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -160.8 99.2 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 45.9 t -58.25 -28.4 64.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -47.6 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -90.47 -35.46 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.832 ' O ' HD13 ' A' ' 612' ' ' LEU . 3.4 tm? -57.51 -21.02 35.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.733 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 613' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 616' ' ' ILE . 1.3 m -67.98 -38.92 83.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.777 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -31.98 71.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.85 -38.07 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.79 HD11 ' CD1' ' A' ' 612' ' ' LEU . 15.5 mt -68.14 -33.01 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -60.87 -32.04 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -30.92 44.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.717 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.902 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.408 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 53.8 t . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.536 0.208 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.54 -17.21 10.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.172 . . . . 0.0 112.934 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 601' ' ' GLU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -93.09 18.81 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.584 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.583 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.1 p -177.01 176.73 0.5 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.695 179.746 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 64.8 Cg_endo -90.32 -15.41 1.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.936 2.424 . . . . 0.0 112.878 -179.634 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 138.12 57.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -115.86 156.93 25.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.415 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 7.0 m-85 -127.56 167.94 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -119.36 23.31 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.31 148.42 4.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.747 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.84 20.74 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -100.8 -42.73 6.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.47 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -83.92 -28.83 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.993 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.415 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 2.0 mt -58.55 -21.65 53.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 30.3 m -67.88 -39.88 83.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -75.56 -31.96 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -69.73 -46.44 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.3 -29.88 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -61.25 -32.0 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -30.44 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 599' ' ' CYS . . . . . 0.432 ' CB ' ' HG ' ' A' ' 602' ' ' CYS . 54.0 t . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.573 0.225 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.46 -24.72 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.89 -26.62 49.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 25.7 p -134.71 173.96 5.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.771 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 603' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.9 Cg_endo -91.26 20.63 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.004 2.469 . . . . 0.0 112.746 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -90.3 150.16 22.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -127.93 154.09 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 2.8 m-85 -132.5 156.64 46.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.6 mtt -98.9 30.06 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -173.45 171.5 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 6.6 t -108.1 -25.14 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -47.69 81.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -77.33 -34.7 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -60.29 -19.17 53.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.648 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -42.79 70.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -72.51 -31.91 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 615' ' ' HIS . . . . . 0.454 ' O ' HG22 ' A' ' 618' ' ' THR . 66.5 t60 -66.55 -47.99 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.637 HD11 HD22 ' A' ' 612' ' ' LEU . 16.8 mt -66.66 -29.73 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -55.4 -51.82 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.096 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 618' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 615' ' ' HIS . 2.7 t -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 619' ' ' HIS . . . . . 0.411 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 1.5 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 18.4 tttm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -88.84 77.29 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 612' ' ' LEU . 34.3 m-85 -84.82 154.99 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -161.92 126.08 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.51 130.08 84.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.86 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.457 2.105 . . . . 0.0 112.628 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.3 mm-40 -105.63 -27.28 11.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.0 p -134.11 172.88 6.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.69 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.541 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.8 Cg_endo -89.88 -14.46 2.35 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.877 2.385 . . . . 0.0 112.648 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -61.78 154.21 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -140.84 149.93 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.03 129.7 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.14 -24.12 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -98.36 162.02 13.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.566 ' HA ' HD12 ' A' ' 612' ' ' LEU . 0.3 OUTLIER -110.97 -25.92 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.054 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.42 -47.55 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -67.99 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 609' ' ' SER . 15.5 mt -58.09 -21.24 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.018 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.3 p -68.79 -44.47 73.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -75.41 -32.0 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -70.34 -50.75 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 612' ' ' LEU . 16.3 mt -68.68 -29.88 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -53.22 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 -27.29 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.442 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER -56.87 -36.78 70.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -96.86 157.29 15.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -140.47 154.39 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -90.21 108.8 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 10.2 tttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.9 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.923 0.392 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.61 30.16 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.403 ' CG ' ' OG ' ' A' ' 609' ' ' SER . 21.9 m-85 -117.75 144.6 45.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 612' ' ' LEU . . . -175.75 173.11 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.07 134.08 95.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.32 -22.91 10.62 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.487 2.125 . . . . 0.0 112.574 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.2 0.67 15.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.682 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.43 ' HB3' ' CD ' ' A' ' 603' ' ' PRO . 6.7 m -144.33 170.07 8.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' ' 602' ' ' CYS . 1.0 OUTLIER -84.92 -14.4 6.23 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 123.406 2.737 . . . . 0.0 112.783 -179.34 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 615' ' ' HIS . 2.1 mptp? -52.95 121.99 8.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' ARG . . . . . 0.459 ' HG2' ' HB2' ' A' ' 598' ' ' ALA . 0.7 OUTLIER -127.07 168.88 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.419 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 52.8 m-85 -146.65 -177.84 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 8.5 mtt -80.98 -32.15 34.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.5 -178.48 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.403 ' OG ' ' CG ' ' A' ' 597' ' ' PHE . 0.4 OUTLIER -98.32 29.1 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 -47.64 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.799 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -81.62 -31.26 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.464 HD21 ' HA ' ' A' ' 598' ' ' ALA . 7.7 mt -57.22 -22.3 39.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.4 m -68.35 -31.15 70.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -35.28 66.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.416 ' CE1' ' HG2' ' A' ' 604' ' ' LYS . 69.6 t60 -74.02 -38.02 64.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 8.8 mt -70.9 -46.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.311 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' LYS . . . . . 0.45 ' HE3' HG23 ' A' ' 618' ' ' THR . 0.0 OUTLIER -60.75 -30.43 69.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.022 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.45 HG23 ' HE3' ' A' ' 617' ' ' LYS . 0.1 OUTLIER -67.11 -31.61 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.68 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -61.72 -49.95 74.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 54.61 35.5 23.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.25 -31.66 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.42 101.14 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.91 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -109.91 31.32 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.716 ' HB3' HD11 ' A' ' 612' ' ' LEU . 30.6 m-85 -142.96 149.0 37.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -164.06 142.56 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.51 127.95 58.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.56 -1.18 11.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.488 2.126 . . . . 0.0 112.675 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 10.3 mm-40 -108.48 -27.29 10.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.7 p -133.9 172.58 7.08 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.684 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.7 Cg_endo -89.49 -15.68 2.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.842 2.361 . . . . 0.0 112.613 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -62.69 145.76 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' ARG . . . . . 0.405 ' O ' ' CD1' ' A' ' 606' ' ' PHE . 6.9 mtm180 -127.19 156.5 41.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 605' ' ' ARG . 8.6 m-85 -136.83 152.41 50.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.71 23.99 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -147.39 126.43 12.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.786 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -27.01 59.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.65 -47.5 85.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -67.65 -31.15 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.012 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 597' ' ' PHE . 10.2 mt -58.97 -20.62 54.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.5 m -73.46 -44.15 58.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -75.69 -32.53 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 618' ' ' THR . 19.6 t60 -72.61 -52.69 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.538 HD11 HD22 ' A' ' 612' ' ' LEU . 27.0 mt -65.64 -29.86 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.22 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.6 t -70.65 -27.98 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.44 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.4 OUTLIER -58.07 -31.03 66.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.921 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -91.35 139.67 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 61.01 155.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -99.73 111.64 23.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.816 0.341 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -138.82 34.31 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -144.34 89.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -147.41 -173.4 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.49 139.92 26.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.04 -24.11 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.596 2.197 . . . . 0.0 112.374 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.425 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.0 mm-40 -83.21 -27.53 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.553 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 29.5 p -133.07 172.8 6.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.706 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.553 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.2 Cg_endo -90.21 -11.1 3.14 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.901 2.4 . . . . 0.0 112.655 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -61.29 138.29 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.798 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.94 156.94 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -129.98 155.82 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -101.21 27.76 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 177.29 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.4 t -112.15 -28.61 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.25 -47.69 84.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.065 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -35.48 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 612' ' ' LEU . 0.7 OUTLIER -66.48 -13.53 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 28.7 t -80.51 -37.32 31.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.62 -31.92 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.32 -36.82 85.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.76 -30.13 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -62.17 -35.58 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -30.15 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.0 m-70 -67.67 -45.32 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 55.4 101.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.054 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -123.0 31.9 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -87.14 141.23 28.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 17.2 pttt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.902 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 3.6 pttt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.783 0.325 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 2.0 tttm 64.1 31.08 13.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.4 79.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -127.3 -173.71 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 141.07 22.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.59 -21.68 4.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 17.7 mt-10 -86.86 -27.26 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.291 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.531 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.3 p -132.14 172.66 7.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.629 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.531 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.19 -6.26 4.68 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.827 2.351 . . . . 0.0 112.798 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -62.27 155.37 25.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.822 0.344 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.36 145.5 47.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -122.0 155.18 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.7 ttm -102.64 31.43 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -169.08 -179.58 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.88 -31.65 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.099 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -35.3 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.683 HD22 HD11 ' A' ' 616' ' ' ILE . 0.9 OUTLIER -66.69 -13.6 61.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 44.2 t -80.88 -35.06 33.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.36 -41.87 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.683 HD11 HD22 ' A' ' 612' ' ' LEU . 41.1 mt -70.72 -31.77 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -60.91 -30.52 70.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 -61.57 -29.93 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -82.72 132.82 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -113.83 -58.54 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 113.31 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 17.0 mttt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.915 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 7.2 tttt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.54 31.41 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -154.63 84.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -128.95 166.37 19.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 45.3 t -77.99 131.41 69.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.63 -28.08 2.37 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.226 . . . . 0.0 112.397 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.15 -25.46 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.579 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.3 p -134.7 176.78 2.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.579 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 61.2 Cg_endo -90.05 -15.38 2.05 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.818 2.346 . . . . 0.0 112.739 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.46 128.98 38.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -108.0 149.17 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -118.26 144.11 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mmt -97.57 27.94 4.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.9 173.4 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 74.1 m -110.01 -25.08 10.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.58 -47.21 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -73.93 -34.36 64.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.03 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.766 HD22 HD11 ' A' ' 616' ' ' ILE . 0.5 OUTLIER -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 52.5 p -76.21 -40.84 51.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.843 0.354 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.05 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -64.17 -48.16 77.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.071 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.766 HD11 HD22 ' A' ' 612' ' ' LEU . 30.1 mt -68.78 -31.49 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -60.87 -33.75 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.95 -31.14 58.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -59.87 -31.49 69.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.41 134.45 35.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -142.18 -47.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.19 122.84 28.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.905 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.821 0.343 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 10.9 mttt 59.02 27.08 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.427 ' CG ' ' HB2' ' A' ' 609' ' ' SER . 12.7 m-85 -163.41 -74.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.746 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . 57.53 -177.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.256 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -100.38 116.74 64.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -79.93 2.43 8.42 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.734 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.445 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.3 mm-40 -105.11 -27.96 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.72 0.295 . . . . 0.0 111.216 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.481 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 23.2 p -130.09 168.24 17.5 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 74.5 Cg_endo -90.85 83.14 0.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.766 2.311 . . . . 0.0 112.894 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -176.35 139.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 158.46 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.446 ' CD2' ' HG ' ' A' ' 612' ' ' LEU . 4.8 m-85 -124.41 160.08 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 7.9 mmt -58.46 -37.28 75.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.088 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.04 -168.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.427 ' HB2' ' CG ' ' A' ' 597' ' ' PHE . 16.5 t -105.12 28.29 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -47.61 8.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -94.51 -27.37 16.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 616' ' ' ILE . 1.1 mt -52.25 -26.81 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -42.36 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -31.96 60.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -72.37 -43.75 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.637 HD11 HD22 ' A' ' 612' ' ' LEU . 10.3 mt -70.83 -29.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -30.67 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 -62.44 -29.75 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -71.85 167.96 18.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.17 98.03 9.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -82.21 98.15 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 1.6 pttp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.875 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.826 0.346 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 1.4 tttp 61.77 33.95 17.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -91.17 170.23 10.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -149.34 174.12 12.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.14 138.61 20.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.84 -19.84 6.93 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.645 2.23 . . . . 0.0 112.546 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 30.9 mm-40 -90.26 -26.85 19.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.549 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.5 p -133.49 173.64 5.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.2 Cg_endo -89.97 -13.59 2.54 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.849 2.366 . . . . 0.0 112.618 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -60.23 141.1 56.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.846 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.73 146.7 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.428 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.0 m-85 -117.94 144.03 45.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.65 10.72 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -146.08 174.79 10.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.14 -26.21 9.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -47.59 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.66 -34.72 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.037 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.98 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -61.81 -17.74 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.737 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -41.27 62.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -31.96 67.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.746 ' O ' HG22 ' A' ' 618' ' ' THR . 20.7 t60 -71.48 -52.53 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.98 HD11 HD22 ' A' ' 612' ' ' LEU . 39.5 mt -63.84 -29.86 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.054 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -57.63 -45.67 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 615' ' ' HIS . 11.6 t -70.94 -27.59 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER -59.01 -30.14 67.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -119.94 133.8 55.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.97 126.18 26.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -94.7 130.42 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.844 0.354 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 3.1 tttp 61.65 49.63 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -79.72 89.93 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -131.07 179.21 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.12 139.77 22.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.28 -24.18 3.2 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.618 2.212 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.4 mm-40 -83.87 -27.97 28.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.544 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 30.7 p -132.12 172.49 7.29 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.597 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -90.12 -7.38 4.41 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.879 2.386 . . . . 0.0 112.813 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 163.66 7.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -141.01 154.08 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.432 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.3 m-85 -133.06 176.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.44 29.09 4.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -172.24 120.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 5.4 t -62.86 -21.15 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -56.02 -47.59 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -88.05 -37.01 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.432 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -59.86 -18.64 45.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.3 m -71.09 -42.19 69.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -72.78 -31.89 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.706 ' O ' HG22 ' A' ' 618' ' ' THR . 16.9 t60 -64.87 -44.14 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.25 -29.9 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -55.89 -51.02 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.2 t -62.19 -28.89 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 -67.43 -47.84 69.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.765 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 57.94 95.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -88.78 -70.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -110.85 141.41 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.891 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.81 0.338 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -21.11 66.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -134.74 144.72 47.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -159.9 154.66 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.46 130.34 39.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.62 -24.35 3.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.567 2.178 . . . . 0.0 112.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -78.26 -28.61 47.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.312 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.2 p -132.86 173.1 6.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.63 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.541 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 57.6 Cg_endo -89.33 -3.5 5.94 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.748 2.299 . . . . 0.0 112.771 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.27 152.85 42.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -124.97 146.11 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.403 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 8.3 m-85 -123.22 157.12 33.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -115.04 26.15 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -168.54 147.7 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.8 p -95.4 21.03 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.4 -45.03 5.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.398 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -82.1 -29.69 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.959 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.403 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 7.5 mt -59.5 -20.74 57.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.004 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 2.0 t -68.66 -42.44 77.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -75.64 -31.97 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.673 ' O ' HG22 ' A' ' 618' ' ' THR . 18.4 t60 -72.32 -52.6 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.71 -29.91 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -46.17 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.76 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.0 t -70.78 -28.11 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER -58.52 -30.9 67.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -101.65 -49.07 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 2.2 m120 60.08 94.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -61.33 143.98 54.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.198 -0.905 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.835 0.35 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 60.12 31.5 20.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.442 ' HB3' HD12 ' A' ' 612' ' ' LEU . 22.4 m-85 -156.68 111.77 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -150.18 168.11 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 50.1 t -85.48 130.2 52.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.75 -27.81 2.44 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.541 2.161 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.39 -25.47 62.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.584 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.4 p -134.46 176.76 2.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.584 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 65.1 Cg_endo -90.28 -10.77 3.2 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.739 2.293 . . . . 0.0 113.096 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 142.52 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.785 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -119.79 153.79 35.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.3 m-85 -126.35 141.48 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -20.02 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.51 -174.14 3.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' A' ' 597' ' ' PHE . 1.0 OUTLIER -114.06 -25.24 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.272 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.73 -47.63 79.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -71.0 -32.47 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 616' ' ' ILE . 4.5 mt -57.11 -21.91 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.6 p -66.58 -40.4 88.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -31.92 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.72 -44.63 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 612' ' ' LEU . 9.0 mt -69.63 -29.81 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.158 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -60.59 -31.48 70.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -30.32 48.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -63.19 -32.67 74.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -74.58 105.4 5.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -178.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.91 128.08 49.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -88.57 77.45 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 609' ' ' SER . 45.8 m-85 -145.05 122.23 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -145.28 -179.96 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.1 t -108.84 125.58 31.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -80.37 -27.7 3.34 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.2 -25.74 64.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.257 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.577 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.6 p -134.31 176.12 3.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.577 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.75 -9.1 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.766 2.31 . . . . 0.0 113.062 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 149.97 34.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -131.32 142.65 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.515 ' CG ' HD23 ' A' ' 612' ' ' LEU . 5.3 m-85 -117.27 177.36 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.1 ttp -123.17 29.98 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.77 -179.37 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.443 ' HB2' ' CE2' ' A' ' 597' ' ' PHE . 24.6 t -110.8 -23.1 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.65 -47.6 76.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -84.51 -36.04 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.744 ' O ' HD13 ' A' ' 612' ' ' LEU . 0.5 OUTLIER -62.18 -17.17 57.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.06 179.805 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -41.47 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.399 . . . . 0.0 110.737 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -75.74 -32.03 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -61.18 -45.54 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.644 HD11 ' CD1' ' A' ' 612' ' ' LEU . 37.3 mt -68.73 -29.93 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.9 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -30.95 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -63.2 -33.48 75.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.21 123.99 28.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -142.26 161.71 37.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -102.64 148.33 25.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.902 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.794 0.33 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -165.67 66.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -78.59 -67.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.523 ' C ' HD11 ' A' ' 612' ' ' LEU . . . 58.85 173.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 47.3 t -92.44 133.8 29.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -83.47 -27.1 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.656 2.238 . . . . 0.0 112.49 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.8 mm-40 -77.35 -27.83 52.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.558 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.1 p -133.69 175.96 3.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.558 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.0 Cg_endo -91.47 24.65 0.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.802 2.335 . . . . 0.0 113.015 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -81.71 176.1 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.899 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -146.5 143.74 29.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.431 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.6 m-85 -130.21 150.08 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' MET . . . . . 0.401 ' HE2' ' HB3' ' A' ' 607' ' ' MET . 5.7 ttp -98.77 29.83 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 142.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 3.9 m -82.18 -26.95 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -47.68 83.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.081 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -77.96 -34.79 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.523 HD11 ' C ' ' A' ' 598' ' ' ALA . 0.5 OUTLIER -60.14 -18.9 50.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -41.89 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -65.83 -31.84 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.696 ' O ' HG22 ' A' ' 618' ' ' THR . 40.3 t60 -66.87 -48.45 68.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 612' ' ' LEU . 33.3 mm -59.03 -29.82 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.232 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -50.6 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.7 t -67.92 -30.7 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.6 m-70 -62.83 -40.37 97.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -82.97 -51.03 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 61.57 85.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 127.85 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.62 31.34 9.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -133.76 77.02 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -131.01 179.1 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.38 135.56 19.83 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.54 -14.75 12.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.565 2.177 . . . . 0.0 112.628 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.22 -25.38 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.329 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.579 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.9 p -135.78 176.15 3.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.724 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.579 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.67 -15.36 2.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.855 2.37 . . . . 0.0 112.598 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -62.14 117.51 6.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 160.82 21.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.447 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 1.6 m-85 -140.1 -179.88 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.743 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 18.9 mtp -115.11 13.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -143.8 145.52 32.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -21.73 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.26 -47.54 78.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -82.18 -36.43 27.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 616' ' ' ILE . 2.9 mt -60.57 -18.08 50.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 25.9 p -72.95 -42.54 63.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.03 59.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.761 ' O ' HG22 ' A' ' 618' ' ' THR . 8.6 t60 -66.49 -46.94 74.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 612' ' ' LEU . 15.2 mt -70.82 -29.82 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -57.16 -41.09 78.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 615' ' ' HIS . 10.9 t -71.72 -27.09 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.21 -32.58 74.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.27 118.6 31.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -138.33 128.83 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.21 111.73 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.829 0.347 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.95 31.8 6.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 57.75 107.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -101.95 119.2 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.89 136.57 90.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.49 -13.22 16.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.535 2.156 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.1 mm-40 -105.02 -26.55 12.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.254 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.57 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 17.8 p -135.23 175.53 3.55 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.796 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.57 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 63.9 Cg_endo -90.82 -14.02 2.0 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.0 2.467 . . . . 0.0 112.752 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 151.43 24.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -124.9 157.72 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.448 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.3 m-85 -131.2 146.06 52.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mtt -96.8 27.0 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.57 171.38 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.3 m -110.48 -21.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -47.62 80.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -75.19 -38.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.967 HD22 HD11 ' A' ' 616' ' ' ILE . 0.5 OUTLIER -60.13 -18.01 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 45.9 t -72.13 -42.3 66.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.89 0.376 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -31.92 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.674 ' O ' HG22 ' A' ' 618' ' ' THR . 83.7 t60 -68.02 -50.64 54.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.967 HD11 HD22 ' A' ' 612' ' ' LEU . 17.9 mt -64.69 -29.84 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -57.19 -46.15 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.0 t -72.06 -27.54 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.429 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.1 m-70 -59.02 -30.47 68.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -88.11 -63.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -136.56 149.5 48.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.04 90.14 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -83.4 75.75 9.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -129.33 89.9 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -153.63 -174.55 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 138.31 19.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.4 -25.22 2.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 1.9 mm-40 -80.12 -28.85 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.525 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.8 p -131.28 172.42 7.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.564 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.525 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 66.3 Cg_endo -90.64 17.9 1.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.756 2.304 . . . . 0.0 112.905 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.06 169.02 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 0.0 110.802 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -146.47 145.65 30.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.429 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 13.6 m-85 -131.89 166.68 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 29.4 mtm -118.05 27.22 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.702 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -175.62 152.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -21.31 27.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -47.69 82.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.08 -35.14 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.223 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.739 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -59.57 -18.68 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.0 p -72.5 -39.39 67.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.049 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.45 69.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.902 ' O ' HG22 ' A' ' 618' ' ' THR . 10.2 t60 -65.78 -52.34 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.739 HD11 HD22 ' A' ' 612' ' ' LEU . 33.7 mt -62.81 -29.53 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.107 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -38.61 67.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.251 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 615' ' ' HIS . 14.5 t -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 -66.02 -30.24 70.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -72.44 95.48 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -99.85 140.45 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -74.45 147.84 41.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.851 0.358 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -97.45 -21.43 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -141.2 -57.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . 61.12 168.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 43.3 t -110.6 116.6 52.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.41 -2.53 12.74 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.494 2.129 . . . . 0.0 112.889 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -105.94 19.07 21.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.587 0.232 . . . . 0.0 111.317 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.585 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.0 p -177.62 175.85 0.53 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.585 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 56.9 Cg_endo -89.32 -13.67 2.84 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.921 2.414 . . . . 0.0 112.735 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 160.71 9.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.801 0.334 . . . . 0.0 110.88 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -137.13 144.97 43.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.445 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.0 m-85 -122.6 144.18 49.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.92 30.17 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.26 172.93 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 3.3 p -109.29 -24.96 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -59.35 -47.55 84.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -78.04 -35.96 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.987 HD22 HD11 ' A' ' 616' ' ' ILE . 0.6 OUTLIER -60.41 -18.37 50.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.755 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 8.6 t -71.72 -40.4 69.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.761 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -75.59 -31.94 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.41 -50.22 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.987 HD11 HD22 ' A' ' 612' ' ' LEU . 17.9 mt -65.98 -30.0 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.65 -36.77 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -30.06 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.745 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.4 m-70 -59.36 -34.06 71.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -71.57 125.19 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -81.75 -177.62 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 111.88 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.9 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -95.56 43.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.684 ' HB3' HD12 ' A' ' 612' ' ' LEU . 18.0 m-85 -134.94 113.89 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -152.29 -175.83 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.3 137.39 23.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -83.56 -24.78 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.97 -27.87 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.538 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.5 p -132.94 172.63 7.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.72 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.538 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.0 Cg_endo -90.07 -6.06 4.83 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.872 2.382 . . . . 0.0 112.726 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -64.19 143.31 57.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.78 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -123.98 144.11 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -119.65 148.32 43.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.03 27.43 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -162.26 -179.4 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.4 p -114.83 -30.8 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -60.73 -46.92 88.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.225 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.91 -36.66 56.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 616' ' ' ILE . 0.7 OUTLIER -63.51 -15.6 58.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.66 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 74.9 m -75.98 -39.32 56.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.793 0.33 . . . . 0.0 110.828 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.688 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -65.7 -45.0 84.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 612' ' ' LEU . 27.3 mt -70.75 -31.72 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -61.55 -29.44 70.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 622' ' ' LYS . 0.2 OUTLIER -79.61 -30.5 41.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -60.49 -24.77 65.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -58.06 -72.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -151.36 -50.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.498 ' O ' HG22 ' A' ' 618' ' ' THR . 0.0 OUTLIER -68.67 99.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.891 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.5 30.05 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -146.64 92.11 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -137.2 179.03 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.38 131.98 21.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.1 -15.9 11.4 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.9 -25.58 19.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.573 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 22.2 p -135.51 175.43 3.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.761 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 62.0 Cg_endo -90.21 -13.37 2.47 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.874 2.383 . . . . 0.0 112.606 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.29 142.79 54.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -128.94 153.08 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -133.83 164.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 30.3 mtt -103.93 37.01 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -173.58 138.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -23.81 32.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.2 -47.56 78.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.12 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -31.81 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 616' ' ' ILE . 10.6 mt -57.29 -22.41 41.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -46.6 77.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.751 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -75.7 -31.7 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.562 ' O ' HG22 ' A' ' 618' ' ' THR . 9.0 t60 -74.11 -46.1 44.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.482 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.413 HD11 HD22 ' A' ' 612' ' ' LEU . 29.6 mt -70.85 -41.6 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.751 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 615' ' ' HIS . 14.2 t -69.5 -28.27 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -27.53 61.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.15 111.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -60.86 121.88 13.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -126.65 90.44 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 16.6 tttm . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.896 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 5.4 tptt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.953 0.406 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 10.1 tttt 60.35 34.21 20.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.576 ' CD2' HD13 ' A' ' 612' ' ' LEU . 0.3 OUTLIER -140.33 129.75 24.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -149.79 177.75 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.221 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.7 t -97.17 119.63 62.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.71 -7.4 17.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.456 2.104 . . . . 0.0 112.726 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 62.1 mm-40 -93.33 -27.41 16.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.548 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.3 p -133.75 173.62 5.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.543 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.548 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.6 Cg_endo -89.4 13.49 2.4 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.694 2.262 . . . . 0.0 112.935 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -75.62 179.93 5.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -153.89 146.91 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.456 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.1 m-85 -132.31 148.9 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.39 22.89 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -154.19 173.19 16.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.412 ' HA ' ' CD2' ' A' ' 597' ' ' PHE . 1.8 p -112.42 -22.72 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.57 74.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -74.1 -38.81 63.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.576 HD13 ' CD2' ' A' ' 597' ' ' PHE . 0.5 OUTLIER -62.26 -16.76 55.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.2 p -75.2 -42.02 56.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -75.76 -31.95 59.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -63.27 -46.12 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.421 HD11 HD22 ' A' ' 612' ' ' LEU . 34.1 mt -68.81 -29.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.91 -31.05 70.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -29.33 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.2 m-70 -60.38 -28.7 68.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.02 133.24 51.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -119.31 -44.61 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.24 98.2 11.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 11.8 tttt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.887 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.419 ' HG2' ' CE2' ' A' ' 597' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.844 0.354 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 34.14 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.419 ' CE2' ' HG2' ' A' ' 595' ' ' LYS . 26.9 m-85 -112.01 150.22 30.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.467 ' CA ' HD11 ' A' ' 612' ' ' LEU . . . -157.6 162.48 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 52.4 t -79.67 129.73 70.2 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.81 -24.62 4.01 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.18 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.6 mm-40 -76.23 -26.36 55.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.277 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.583 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.8 p -134.17 176.5 2.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 68.2 Cg_endo -90.53 -3.72 4.99 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.763 2.309 . . . . 0.0 113.309 -179.368 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -60.94 172.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.695 0.283 . . . . 0.0 110.806 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.38 151.23 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.2 m-85 -132.23 148.31 52.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 9.9 mtt -98.42 31.43 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 608' ' ' ARG . . . . . 0.401 ' HD3' ' CD2' ' A' ' 611' ' ' HIS . 5.9 ttt180 -176.44 126.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.405 ' HB2' ' CE2' ' A' ' 597' ' ' PHE . 0.2 OUTLIER -72.08 -26.34 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -47.55 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 611' ' ' HIS . . . . . 0.401 ' CD2' ' HD3' ' A' ' 608' ' ' ARG . 93.7 m-70 -81.87 -33.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.467 HD11 ' CA ' ' A' ' 598' ' ' ALA . 0.8 OUTLIER -59.24 -20.34 53.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 82.5 p -70.09 -43.37 71.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -65.44 -31.87 73.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -63.83 -42.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 38.9 mm -64.29 -29.86 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -37.93 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.742 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.08 -31.44 62.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.8 m-70 -66.13 -35.5 80.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.15 135.51 55.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.85 103.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.92 95.42 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 29.4 tttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -92.99 -15.4 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.358 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.437 ' HB3' HD11 ' A' ' 612' ' ' LEU . 21.3 m-85 59.08 86.63 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -91.48 119.03 31.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.25 141.06 62.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.1 -21.72 9.09 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.57 2.18 . . . . 0.0 112.611 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.454 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.2 mm-40 -98.87 -26.51 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.241 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.562 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.1 p -134.0 174.99 4.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.562 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 70.5 Cg_endo -91.16 -1.84 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.94 2.427 . . . . 0.0 113.012 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.41 161.43 7.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -135.93 148.29 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.645 ' CD1' HD21 ' A' ' 612' ' ' LEU . 2.8 m-85 -123.58 164.79 18.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -114.68 16.45 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -158.93 147.78 18.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.709 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.2 m -97.54 24.78 6.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.0 -42.54 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.547 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -85.57 -26.35 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.645 HD21 ' CD1' ' A' ' 606' ' ' PHE . 14.8 mt -56.74 -23.71 44.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.094 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 56.4 p -70.38 -40.62 73.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -31.92 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 618' ' ' THR . 33.6 t60 -72.26 -50.64 25.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 612' ' ' LEU . 13.2 mt -62.04 -29.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -55.17 -45.12 75.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.3 t -74.26 -27.74 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.454 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER -65.87 -34.42 78.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.5 143.62 44.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.82 137.13 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.2 140.77 36.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.888 -179.97 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.43 ' HG2' ' CE2' ' A' ' 597' ' ' PHE . 13.6 ptmt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.13 81.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' A' ' 595' ' ' LYS . 19.3 m-85 -85.53 133.26 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -148.61 -178.2 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 139.33 21.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.27 -20.43 6.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.594 2.196 . . . . 0.0 112.421 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.2 mt-10 -86.91 -26.78 23.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.534 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.1 p -131.7 172.03 8.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.534 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.5 Cg_endo -89.55 -6.68 5.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.684 2.256 . . . . 0.0 112.745 -179.733 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.9 154.15 31.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.293 . . . . 0.0 110.727 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -129.92 147.54 51.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -122.76 133.76 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -13.37 61.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.287 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.77 176.95 7.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.413 ' HB2' ' CE2' ' A' ' 597' ' ' PHE . 0.2 OUTLIER -122.13 11.05 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.343 179.927 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -91.39 -47.57 7.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.883 0.373 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -75.63 -28.63 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 616' ' ' ILE . 1.1 mt -55.21 -24.29 26.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -36.59 84.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -35.47 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -74.08 -44.15 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.652 HD11 HD22 ' A' ' 612' ' ' LEU . 12.3 mt -67.94 -41.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.502 -179.554 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -31.79 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -30.24 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.443 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.5 m-70 -59.81 -29.81 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.12 159.71 33.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.51 108.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -91.47 101.21 13.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.892 -179.948 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.779 0.323 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -126.02 31.31 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -114.45 38.8 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -96.83 -170.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 52.6 t -122.59 121.42 27.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.736 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.08 -15.62 18.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.524 2.149 . . . . 0.0 112.741 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -92.83 16.76 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.501 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.584 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 16.8 p -176.64 178.03 0.46 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 120.65 0.262 . . . . 0.0 110.749 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.584 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.03 -16.82 1.74 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.943 2.429 . . . . 0.0 112.864 -179.699 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 143.56 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -124.96 149.32 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.619 ' HB2' HD23 ' A' ' 612' ' ' LEU . 10.8 m-85 -125.53 143.93 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 10.0 ptm -97.78 25.75 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -158.38 169.08 25.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 13.7 p -106.34 -27.56 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.26 -47.6 83.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -81.17 -37.64 28.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.029 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.837 ' O ' HD13 ' A' ' 612' ' ' LEU . 1.4 tm? -61.34 -17.74 55.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 54.7 p -73.72 -40.94 63.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -75.65 -32.02 60.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.645 ' O ' HG22 ' A' ' 618' ' ' THR . 13.9 t60 -60.38 -46.25 90.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.711 HD11 ' CD1' ' A' ' 612' ' ' LEU . 42.5 mt -70.86 -31.05 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -57.55 -43.62 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.6 t -71.12 -29.8 65.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -59.59 -30.06 68.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -36.28 59.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -98.54 100.17 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -105.44 133.54 50.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 2.2 tttm . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.886 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.8 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 597' ' ' PHE . 0.6 OUTLIER -147.32 30.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.433 ' HB3' HD13 ' A' ' 612' ' ' LEU . 31.1 m-85 -143.72 123.31 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.79 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -153.42 132.99 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.251 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 41.5 t -57.18 108.03 1.11 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.48 -13.35 38.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.579 2.186 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.03 -23.81 26.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.587 -179.576 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.601 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.0 p -137.01 179.42 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.718 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.601 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.71 -15.01 2.29 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.672 2.248 . . . . 0.0 112.634 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 131.76 50.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.751 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 153.95 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.94 159.82 28.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.979 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.1 ttm -101.45 29.5 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.18 179.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -26.57 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -47.62 81.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.072 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -34.93 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 616' ' ' ILE . 0.6 OUTLIER -61.48 -17.53 54.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 179.887 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.5 t -73.6 -41.02 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -71.13 -31.95 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.638 ' O ' HG22 ' A' ' 618' ' ' THR . 41.8 t60 -65.4 -43.35 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.497 HD11 HD22 ' A' ' 612' ' ' LEU . 12.2 mt -70.78 -31.42 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -44.88 95.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.8 t -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -58.13 -40.07 80.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -65.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -59.99 129.24 40.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -117.49 122.31 43.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.843 0.354 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.31 31.71 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.462 ' HB3' HD12 ' A' ' 612' ' ' LEU . 22.1 m-85 -137.44 94.63 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -116.51 -179.02 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.96 134.69 20.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.42 -9.66 10.19 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.685 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -103.18 -26.63 12.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.3 -179.727 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.554 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 29.1 p -132.2 174.28 4.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.503 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.554 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -89.95 -7.19 4.61 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.75 2.3 . . . . 0.0 112.999 -179.447 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -60.76 157.92 13.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.633 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -132.47 148.72 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.448 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -125.52 138.06 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -6.37 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.61 173.19 11.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 38.4 p -109.84 -27.03 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -47.52 85.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -73.32 -33.88 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 597' ' ' PHE . 0.4 OUTLIER -60.2 -19.07 52.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.824 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 5.3 m -72.13 -42.42 66.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -69.02 -31.97 71.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.821 ' O ' HG22 ' A' ' 618' ' ' THR . 28.5 t60 -69.22 -47.53 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.042 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.412 HD11 HD22 ' A' ' 612' ' ' LEU . 15.6 mt -62.95 -29.68 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -54.88 -42.93 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.821 HG22 ' O ' ' A' ' 615' ' ' HIS . 13.0 t -72.57 -26.73 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 -64.48 -30.11 71.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -86.64 -54.59 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.13 113.35 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.43 150.24 33.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.825 0.345 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.03 30.71 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -152.49 106.13 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.778 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.825 ' HA ' HD11 ' A' ' 612' ' ' LEU . . . -150.92 153.68 35.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.235 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 47.9 t -58.72 128.72 84.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.55 -33.97 0.83 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.537 2.158 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.7 mp0 -62.75 -25.37 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.2 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.58 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.5 p -133.98 176.55 2.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.58 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.36 -14.46 2.6 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.702 2.268 . . . . 0.0 112.743 -179.668 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -61.1 136.59 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 605' ' ' ARG . . . . . 0.457 ' HA ' ' HB1' ' A' ' 598' ' ' ALA . 4.2 mtp-105 -117.48 158.39 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 5.6 m-85 -128.91 150.72 50.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 4.1 mmt -94.33 18.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -152.11 175.55 12.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.7 p -112.41 -24.94 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -47.53 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -75.98 -33.27 59.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' A' ' 598' ' ' ALA . 0.9 OUTLIER -65.88 -14.53 61.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 179.897 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 27.7 t -79.32 -37.56 37.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.853 0.358 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.85 64.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.88 ' O ' HG22 ' A' ' 618' ' ' THR . 69.3 t60 -60.09 -44.24 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.332 -179.789 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.423 HG22 ' HG2' ' A' ' 620' ' ' GLN . 33.9 mm -57.1 -29.56 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -179.8 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -29.39 53.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.307 -179.738 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.88 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.3 t -70.9 -31.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 65.0 m-70 -83.15 -35.6 25.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 620' ' ' GLN . . . . . 0.423 ' HG2' HG22 ' A' ' 616' ' ' ILE . 5.3 pt20 -126.93 118.3 24.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -93.92 -61.76 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.0 133.48 52.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.854 179.963 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.799 0.333 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 60.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -99.52 147.17 25.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -166.09 174.26 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 53.0 t -96.34 128.91 34.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.96 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.74 -23.12 4.96 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.559 2.173 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -76.3 -27.02 56.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.556 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.7 p -133.41 174.42 4.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.476 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.556 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -89.81 16.1 1.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 112.815 -179.577 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -79.52 173.81 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -140.86 142.45 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.427 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 8.5 m-85 -125.84 122.1 35.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 32.8 tpp -62.53 -18.35 61.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -133.29 178.19 7.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 47.2 t -112.42 -22.92 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.261 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -55.7 -47.67 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -74.18 -31.27 62.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 616' ' ' ILE . 4.4 mt -55.86 -23.65 32.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.751 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -41.06 99.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.705 179.811 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -75.66 -34.49 60.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 618' ' ' THR . 60.9 t60 -74.21 -43.47 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.433 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.441 HD11 HD22 ' A' ' 612' ' ' LEU . 24.0 mt -70.91 -40.23 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.632 -179.496 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 617' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 618' ' ' THR . 0.0 OUTLIER -59.62 -39.33 83.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 111.16 -179.682 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 615' ' ' HIS . 12.7 t -70.67 -28.53 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -60.1 -33.12 71.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.776 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -91.83 120.29 32.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.11 119.24 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -96.18 145.48 25.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.895 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 13.0 pttp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.885 0.374 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.13 30.43 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -97.78 57.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -93.8 173.14 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.66 130.95 53.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.78 -28.43 2.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.173 . . . . 0.0 112.417 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.82 -24.49 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.593 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.9 p -135.29 178.09 1.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.593 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.5 Cg_endo -89.61 -13.06 2.85 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.725 2.283 . . . . 0.0 112.74 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.82 149.16 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 110.807 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -117.59 157.62 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.505 ' CD1' HD23 ' A' ' 612' ' ' LEU . 24.1 m-85 -136.35 -43.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.4 mtp 66.25 31.14 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -160.8 99.2 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 45.9 t -58.25 -28.4 64.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -47.6 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -90.47 -35.46 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.832 ' O ' HD13 ' A' ' 612' ' ' LEU . 3.4 tm? -57.51 -21.02 35.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.733 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 613' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 616' ' ' ILE . 1.3 m -67.98 -38.92 83.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.777 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -31.98 71.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.85 -38.07 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.79 HD11 ' CD1' ' A' ' 612' ' ' LEU . 15.5 mt -68.14 -33.01 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -60.87 -32.04 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -30.92 44.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.717 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -64.36 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -113.05 111.85 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.6 127.36 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -93.4 140.28 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.928 179.987 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.904 0.383 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 34.44 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -134.41 115.32 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.786 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -155.51 -169.97 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.29 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 53.8 t -114.12 127.61 26.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.76 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.54 -17.21 10.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.172 . . . . 0.0 112.934 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -93.09 18.81 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.584 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.583 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.1 p -177.01 176.73 0.5 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.695 179.746 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 64.8 Cg_endo -90.32 -15.41 1.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.936 2.424 . . . . 0.0 112.878 -179.634 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 138.12 57.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -115.86 156.93 25.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.415 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 7.0 m-85 -127.56 167.94 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -119.36 23.31 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.31 148.42 4.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.747 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.84 20.74 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -100.8 -42.73 6.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.47 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -83.92 -28.83 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.993 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.415 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 2.0 mt -58.55 -21.65 53.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 30.3 m -67.88 -39.88 83.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -75.56 -31.96 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -69.73 -46.44 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.3 -29.88 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -61.25 -32.0 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -30.44 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 619' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.4 m-70 -60.99 -27.88 68.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -81.38 60.31 4.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -135.56 -47.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -126.56 89.37 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.801 0.334 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -98.82 31.13 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 597' ' ' PHE . . . . . 0.564 ' HB3' HD12 ' A' ' 612' ' ' LEU . 15.6 m-85 -128.16 68.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -116.15 137.93 51.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.51 133.54 95.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.46 -24.72 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.89 -26.62 49.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 25.7 p -134.71 173.96 5.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.771 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.9 Cg_endo -91.26 20.63 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.004 2.469 . . . . 0.0 112.746 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -90.3 150.16 22.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -127.93 154.09 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 2.8 m-85 -132.5 156.64 46.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.6 mtt -98.9 30.06 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -173.45 171.5 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 6.6 t -108.1 -25.14 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -47.69 81.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -77.33 -34.7 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -60.29 -19.17 53.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.648 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -42.79 70.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -72.51 -31.91 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.454 ' O ' HG22 ' A' ' 618' ' ' THR . 66.5 t60 -66.55 -47.99 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.637 HD11 HD22 ' A' ' 612' ' ' LEU . 16.8 mt -66.66 -29.73 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -55.4 -51.82 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.096 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 618' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 615' ' ' HIS . 2.7 t -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -59.71 -43.43 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -64.98 80.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.68 91.68 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.06 152.47 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.581 0.229 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.86 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.457 2.105 . . . . 0.0 112.628 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.3 mm-40 -105.63 -27.28 11.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.0 p -134.11 172.88 6.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.69 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.541 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.8 Cg_endo -89.88 -14.46 2.35 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.877 2.385 . . . . 0.0 112.648 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -61.78 154.21 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -140.84 149.93 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.03 129.7 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.14 -24.12 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -98.36 162.02 13.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . 0.566 ' HA ' HD12 ' A' ' 612' ' ' LEU . 0.3 OUTLIER -110.97 -25.92 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.054 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.42 -47.55 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -67.99 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 609' ' ' SER . 15.5 mt -58.09 -21.24 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.018 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.3 p -68.79 -44.47 73.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -75.41 -32.0 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -70.34 -50.75 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 612' ' ' LEU . 16.3 mt -68.68 -29.88 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -53.22 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 -27.29 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.442 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.536 0.208 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.32 -22.91 10.62 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.487 2.125 . . . . 0.0 112.574 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.2 0.67 15.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.682 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.43 ' HB3' ' CD ' ' A' ' 603' ' ' PRO . 6.7 m -144.33 170.07 8.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' ' 602' ' ' CYS . 1.0 OUTLIER -84.92 -14.4 6.23 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 123.406 2.737 . . . . 0.0 112.783 -179.34 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 615' ' ' HIS . 2.1 mptp? -52.95 121.99 8.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.07 168.88 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.419 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 52.8 m-85 -146.65 -177.84 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 8.5 mtt -80.98 -32.15 34.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.5 -178.48 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.32 29.1 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 -47.64 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.799 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -81.62 -31.26 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.419 ' HG ' ' CD1' ' A' ' 606' ' ' PHE . 7.7 mt -57.22 -22.3 39.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.4 m -68.35 -31.15 70.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -35.28 66.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.416 ' CE1' ' HG2' ' A' ' 604' ' ' LYS . 69.6 t60 -74.02 -38.02 64.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 8.8 mt -70.9 -46.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.311 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . 0.45 ' HE3' HG23 ' A' ' 618' ' ' THR . 0.0 OUTLIER -60.75 -30.43 69.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.022 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.45 HG23 ' HE3' ' A' ' 617' ' ' LYS . 0.1 OUTLIER -67.11 -31.61 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.68 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.83 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.599 0.238 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.56 -1.18 11.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.488 2.126 . . . . 0.0 112.675 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 10.3 mm-40 -108.48 -27.29 10.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.7 p -133.9 172.58 7.08 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.684 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.7 Cg_endo -89.49 -15.68 2.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.842 2.361 . . . . 0.0 112.613 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -62.69 145.76 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . 0.405 ' O ' ' CD1' ' A' ' 606' ' ' PHE . 6.9 mtm180 -127.19 156.5 41.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 605' ' ' ARG . 8.6 m-85 -136.83 152.41 50.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.71 23.99 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -147.39 126.43 12.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.786 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -27.01 59.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.65 -47.5 85.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -67.65 -31.15 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.012 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.538 HD22 HD11 ' A' ' 616' ' ' ILE . 10.2 mt -58.97 -20.62 54.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.5 m -73.46 -44.15 58.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -75.69 -32.53 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 618' ' ' THR . 19.6 t60 -72.61 -52.69 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.538 HD11 HD22 ' A' ' 612' ' ' LEU . 27.0 mt -65.64 -29.86 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.22 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.6 t -70.65 -27.98 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.44 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.628 0.251 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.04 -24.11 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.596 2.197 . . . . 0.0 112.374 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.425 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.0 mm-40 -83.21 -27.53 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.553 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 29.5 p -133.07 172.8 6.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.706 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.553 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.2 Cg_endo -90.21 -11.1 3.14 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.901 2.4 . . . . 0.0 112.655 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -61.29 138.29 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.798 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.94 156.94 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -129.98 155.82 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -101.21 27.76 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 177.29 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.4 t -112.15 -28.61 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.25 -47.69 84.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.065 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -35.48 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 612' ' ' LEU . 0.7 OUTLIER -66.48 -13.53 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 28.7 t -80.51 -37.32 31.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.62 -31.92 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.32 -36.82 85.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.76 -30.13 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -62.17 -35.58 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -30.15 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.0 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.71 0.29 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.59 -21.68 4.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 17.7 mt-10 -86.86 -27.26 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.291 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.531 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.3 p -132.14 172.66 7.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.629 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.531 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.19 -6.26 4.68 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.827 2.351 . . . . 0.0 112.798 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -62.27 155.37 25.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.822 0.344 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.36 145.5 47.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -122.0 155.18 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.7 ttm -102.64 31.43 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -169.08 -179.58 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.88 -31.65 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.099 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -35.3 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.683 HD22 HD11 ' A' ' 616' ' ' ILE . 0.9 OUTLIER -66.69 -13.6 61.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 44.2 t -80.88 -35.06 33.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.36 -41.87 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.683 HD11 HD22 ' A' ' 612' ' ' LEU . 41.1 mt -70.72 -31.77 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -60.91 -30.52 70.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.409 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 45.3 t . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.559 0.219 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.63 -28.08 2.37 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.226 . . . . 0.0 112.397 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.15 -25.46 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.579 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.3 p -134.7 176.78 2.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.579 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 61.2 Cg_endo -90.05 -15.38 2.05 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.818 2.346 . . . . 0.0 112.739 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.46 128.98 38.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -108.0 149.17 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -118.26 144.11 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mmt -97.57 27.94 4.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.9 173.4 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 74.1 m -110.01 -25.08 10.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.58 -47.21 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -73.93 -34.36 64.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.03 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.766 HD22 HD11 ' A' ' 616' ' ' ILE . 0.5 OUTLIER -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 52.5 p -76.21 -40.84 51.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.843 0.354 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.05 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -64.17 -48.16 77.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.071 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.766 HD11 HD22 ' A' ' 612' ' ' LEU . 30.1 mt -68.78 -31.49 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -60.87 -33.75 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.95 -31.14 58.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.409 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 2.7 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 606' ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.495 0.188 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -79.93 2.43 8.42 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.734 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.445 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.3 mm-40 -105.11 -27.96 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.72 0.295 . . . . 0.0 111.216 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.481 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 23.2 p -130.09 168.24 17.5 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 74.5 Cg_endo -90.85 83.14 0.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.766 2.311 . . . . 0.0 112.894 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -176.35 139.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 158.46 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.446 ' CD2' ' HG ' ' A' ' 612' ' ' LEU . 4.8 m-85 -124.41 160.08 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 7.9 mmt -58.46 -37.28 75.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.088 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.04 -168.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 16.5 t -105.12 28.29 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -47.61 8.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -94.51 -27.37 16.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 616' ' ' ILE . 1.1 mt -52.25 -26.81 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -42.36 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -31.96 60.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -72.37 -43.75 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.637 HD11 HD22 ' A' ' 612' ' ' LEU . 10.3 mt -70.83 -29.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -30.67 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.65 0.262 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.84 -19.84 6.93 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.645 2.23 . . . . 0.0 112.546 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 30.9 mm-40 -90.26 -26.85 19.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.549 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.5 p -133.49 173.64 5.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.2 Cg_endo -89.97 -13.59 2.54 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.849 2.366 . . . . 0.0 112.618 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -60.23 141.1 56.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.846 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.73 146.7 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.428 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.0 m-85 -117.94 144.03 45.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.65 10.72 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -146.08 174.79 10.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.14 -26.21 9.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -47.59 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.66 -34.72 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.037 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.98 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -61.81 -17.74 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -41.27 62.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -31.96 67.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.746 ' O ' HG22 ' A' ' 618' ' ' THR . 20.7 t60 -71.48 -52.53 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.98 HD11 HD22 ' A' ' 612' ' ' LEU . 39.5 mt -63.84 -29.86 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.054 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -57.63 -45.67 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 615' ' ' HIS . 11.6 t -70.94 -27.59 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.663 0.268 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.28 -24.18 3.2 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.618 2.212 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.4 mm-40 -83.87 -27.97 28.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.544 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 30.7 p -132.12 172.49 7.29 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.597 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -90.12 -7.38 4.41 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.879 2.386 . . . . 0.0 112.813 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 163.66 7.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -141.01 154.08 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.432 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.3 m-85 -133.06 176.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.44 29.09 4.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -172.24 120.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 5.4 t -62.86 -21.15 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -56.02 -47.59 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -88.05 -37.01 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.432 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -59.86 -18.64 45.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.3 m -71.09 -42.19 69.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -72.78 -31.89 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.706 ' O ' HG22 ' A' ' 618' ' ' THR . 16.9 t60 -64.87 -44.14 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.25 -29.9 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -55.89 -51.02 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.2 t -62.19 -28.89 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.765 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.602 0.239 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.62 -24.35 3.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.567 2.178 . . . . 0.0 112.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -78.26 -28.61 47.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.312 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.2 p -132.86 173.1 6.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.63 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.541 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 57.6 Cg_endo -89.33 -3.5 5.94 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.748 2.299 . . . . 0.0 112.771 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.27 152.85 42.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -124.97 146.11 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.403 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 8.3 m-85 -123.22 157.12 33.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -115.04 26.15 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -168.54 147.7 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.8 p -95.4 21.03 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.4 -45.03 5.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.398 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -82.1 -29.69 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.959 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.403 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 7.5 mt -59.5 -20.74 57.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.004 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 2.0 t -68.66 -42.44 77.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -75.64 -31.97 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.673 ' O ' HG22 ' A' ' 618' ' ' THR . 18.4 t60 -72.32 -52.6 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.71 -29.91 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -46.17 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.76 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.0 t -70.78 -28.11 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 50.1 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.551 0.215 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.75 -27.81 2.44 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.541 2.161 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.39 -25.47 62.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.584 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.4 p -134.46 176.76 2.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.584 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 65.1 Cg_endo -90.28 -10.77 3.2 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.739 2.293 . . . . 0.0 113.096 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 142.52 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.785 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -119.79 153.79 35.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.3 m-85 -126.35 141.48 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -20.02 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.51 -174.14 3.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.06 -25.24 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.272 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.73 -47.63 79.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -71.0 -32.47 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 616' ' ' ILE . 4.5 mt -57.11 -21.91 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.6 p -66.58 -40.4 88.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -31.92 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.72 -44.63 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 612' ' ' LEU . 9.0 mt -69.63 -29.81 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.158 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -60.59 -31.48 70.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -30.32 48.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.404 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 49.1 t . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.511 0.196 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -80.37 -27.7 3.34 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.2 -25.74 64.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.257 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.577 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.6 p -134.31 176.12 3.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.577 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.75 -9.1 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.766 2.31 . . . . 0.0 113.062 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 149.97 34.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -131.32 142.65 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.515 ' CG ' HD23 ' A' ' 612' ' ' LEU . 5.3 m-85 -117.27 177.36 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.1 ttp -123.17 29.98 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.77 -179.37 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 24.6 t -110.8 -23.1 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.65 -47.6 76.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -84.51 -36.04 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.744 ' O ' HD13 ' A' ' 612' ' ' LEU . 0.5 OUTLIER -62.18 -17.17 57.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.06 179.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -41.47 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.399 . . . . 0.0 110.737 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -75.74 -32.03 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -61.18 -45.54 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.644 HD11 ' CD1' ' A' ' 612' ' ' LEU . 37.3 mt -68.73 -29.93 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.9 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -30.95 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.404 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 4.6 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.412 ' CB ' ' HG ' ' A' ' 602' ' ' CYS . 47.3 t . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.608 0.242 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -83.47 -27.1 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.656 2.238 . . . . 0.0 112.49 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.8 mm-40 -77.35 -27.83 52.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.558 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.1 p -133.69 175.96 3.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.558 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.0 Cg_endo -91.47 24.65 0.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.802 2.335 . . . . 0.0 113.015 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -81.71 176.1 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.899 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -146.5 143.74 29.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.431 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.6 m-85 -130.21 150.08 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . 0.401 ' HE2' ' HB3' ' A' ' 607' ' ' MET . 5.7 ttp -98.77 29.83 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 142.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 3.9 m -82.18 -26.95 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -47.68 83.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.081 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -77.96 -34.79 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.431 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -60.14 -18.9 50.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -41.89 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -65.83 -31.84 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.696 ' O ' HG22 ' A' ' 618' ' ' THR . 40.3 t60 -66.87 -48.45 68.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 612' ' ' LEU . 33.3 mm -59.03 -29.82 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.232 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -50.6 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.7 t -67.92 -30.7 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.623 0.249 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.54 -14.75 12.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.565 2.177 . . . . 0.0 112.628 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.22 -25.38 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.329 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.579 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.9 p -135.78 176.15 3.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.724 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.579 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.67 -15.36 2.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.855 2.37 . . . . 0.0 112.598 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -62.14 117.51 6.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 160.82 21.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.447 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 1.6 m-85 -140.1 -179.88 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.743 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 18.9 mtp -115.11 13.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -143.8 145.52 32.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -21.73 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.26 -47.54 78.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -82.18 -36.43 27.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 616' ' ' ILE . 2.9 mt -60.57 -18.08 50.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 25.9 p -72.95 -42.54 63.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.03 59.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.761 ' O ' HG22 ' A' ' 618' ' ' THR . 8.6 t60 -66.49 -46.94 74.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 612' ' ' LEU . 15.2 mt -70.82 -29.82 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -57.16 -41.09 78.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 615' ' ' HIS . 10.9 t -71.72 -27.09 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.649 0.262 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.49 -13.22 16.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.535 2.156 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.1 mm-40 -105.02 -26.55 12.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.254 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.57 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 17.8 p -135.23 175.53 3.55 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.796 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.57 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 63.9 Cg_endo -90.82 -14.02 2.0 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.0 2.467 . . . . 0.0 112.752 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 151.43 24.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -124.9 157.72 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.448 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.3 m-85 -131.2 146.06 52.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mtt -96.8 27.0 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.57 171.38 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.3 m -110.48 -21.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -47.62 80.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -75.19 -38.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.967 HD22 HD11 ' A' ' 616' ' ' ILE . 0.5 OUTLIER -60.13 -18.01 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 45.9 t -72.13 -42.3 66.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.89 0.376 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -31.92 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.674 ' O ' HG22 ' A' ' 618' ' ' THR . 83.7 t60 -68.02 -50.64 54.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.967 HD11 HD22 ' A' ' 612' ' ' LEU . 17.9 mt -64.69 -29.84 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -57.19 -46.15 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.0 t -72.06 -27.54 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.429 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.1 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.653 0.263 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.4 -25.22 2.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 1.9 mm-40 -80.12 -28.85 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.525 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.8 p -131.28 172.42 7.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.564 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.525 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 66.3 Cg_endo -90.64 17.9 1.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.756 2.304 . . . . 0.0 112.905 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.06 169.02 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 0.0 110.802 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -146.47 145.65 30.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.429 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 13.6 m-85 -131.89 166.68 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 29.4 mtm -118.05 27.22 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.702 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -175.62 152.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -21.31 27.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -47.69 82.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.08 -35.14 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.223 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.739 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -59.57 -18.68 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.0 p -72.5 -39.39 67.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.049 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.45 69.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.902 ' O ' HG22 ' A' ' 618' ' ' THR . 10.2 t60 -65.78 -52.34 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.739 HD11 HD22 ' A' ' 612' ' ' LEU . 33.7 mt -62.81 -29.53 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.107 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -38.61 67.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.251 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 615' ' ' HIS . 14.5 t -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 43.3 t . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.564 0.221 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.41 -2.53 12.74 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.494 2.129 . . . . 0.0 112.889 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -105.94 19.07 21.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.587 0.232 . . . . 0.0 111.317 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.585 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.0 p -177.62 175.85 0.53 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.585 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 56.9 Cg_endo -89.32 -13.67 2.84 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.921 2.414 . . . . 0.0 112.735 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 160.71 9.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.801 0.334 . . . . 0.0 110.88 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -137.13 144.97 43.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.445 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.0 m-85 -122.6 144.18 49.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.92 30.17 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.26 172.93 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 3.3 p -109.29 -24.96 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -59.35 -47.55 84.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -78.04 -35.96 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.987 HD22 HD11 ' A' ' 616' ' ' ILE . 0.6 OUTLIER -60.41 -18.37 50.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.755 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 8.6 t -71.72 -40.4 69.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.761 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -75.59 -31.94 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.41 -50.22 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.987 HD11 HD22 ' A' ' 612' ' ' LEU . 17.9 mt -65.98 -30.0 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.65 -36.77 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -30.06 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.745 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.4 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.634 0.254 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -83.56 -24.78 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.97 -27.87 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.538 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.5 p -132.94 172.63 7.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.72 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.538 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.0 Cg_endo -90.07 -6.06 4.83 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.872 2.382 . . . . 0.0 112.726 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -64.19 143.31 57.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.78 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -123.98 144.11 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -119.65 148.32 43.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.03 27.43 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -162.26 -179.4 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.4 p -114.83 -30.8 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -60.73 -46.92 88.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.225 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.91 -36.66 56.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 616' ' ' ILE . 0.7 OUTLIER -63.51 -15.6 58.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 74.9 m -75.98 -39.32 56.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.793 0.33 . . . . 0.0 110.828 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.688 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -65.7 -45.0 84.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 612' ' ' LEU . 27.3 mt -70.75 -31.72 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -61.55 -29.44 70.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 -30.5 41.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.595 0.236 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.1 -15.9 11.4 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.9 -25.58 19.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.573 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 22.2 p -135.51 175.43 3.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.761 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 62.0 Cg_endo -90.21 -13.37 2.47 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.874 2.383 . . . . 0.0 112.606 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.29 142.79 54.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -128.94 153.08 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -133.83 164.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 30.3 mtt -103.93 37.01 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -173.58 138.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -23.81 32.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.2 -47.56 78.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.12 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -31.81 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 616' ' ' ILE . 10.6 mt -57.29 -22.41 41.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -46.6 77.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.751 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -75.7 -31.7 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.562 ' O ' HG22 ' A' ' 618' ' ' THR . 9.0 t60 -74.11 -46.1 44.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.482 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.413 HD11 HD22 ' A' ' 612' ' ' LEU . 29.6 mt -70.85 -41.6 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.751 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 615' ' ' HIS . 14.2 t -69.5 -28.27 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.531 0.205 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.71 -7.4 17.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.456 2.104 . . . . 0.0 112.726 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 62.1 mm-40 -93.33 -27.41 16.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.548 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.3 p -133.75 173.62 5.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.543 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.548 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.6 Cg_endo -89.4 13.49 2.4 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.694 2.262 . . . . 0.0 112.935 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -75.62 179.93 5.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -153.89 146.91 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.456 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.1 m-85 -132.31 148.9 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.39 22.89 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -154.19 173.19 16.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.8 p -112.42 -22.72 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.57 74.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -74.1 -38.81 63.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.456 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -62.26 -16.76 55.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.2 p -75.2 -42.02 56.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -75.76 -31.95 59.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -63.27 -46.12 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.421 HD11 HD22 ' A' ' 612' ' ' LEU . 34.1 mt -68.81 -29.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.91 -31.05 70.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -29.33 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.2 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.41 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 52.4 t . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.58 0.229 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.81 -24.62 4.01 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.18 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.6 mm-40 -76.23 -26.36 55.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.277 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.583 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.8 p -134.17 176.5 2.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 68.2 Cg_endo -90.53 -3.72 4.99 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.763 2.309 . . . . 0.0 113.309 -179.368 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -60.94 172.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.695 0.283 . . . . 0.0 110.806 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.38 151.23 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.2 m-85 -132.23 148.31 52.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 9.9 mtt -98.42 31.43 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . 0.401 ' HD3' ' CD2' ' A' ' 611' ' ' HIS . 5.9 ttt180 -176.44 126.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -26.34 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -47.55 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . 0.401 ' CD2' ' HD3' ' A' ' 608' ' ' ARG . 93.7 m-70 -81.87 -33.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.451 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -59.24 -20.34 53.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 82.5 p -70.09 -43.37 71.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -65.44 -31.87 73.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -63.83 -42.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 38.9 mm -64.29 -29.86 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -37.93 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.742 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.08 -31.44 62.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.8 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.67 0.272 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.1 -21.72 9.09 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.57 2.18 . . . . 0.0 112.611 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.454 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.2 mm-40 -98.87 -26.51 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.241 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.562 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.1 p -134.0 174.99 4.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.562 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 70.5 Cg_endo -91.16 -1.84 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.94 2.427 . . . . 0.0 113.012 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.41 161.43 7.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -135.93 148.29 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.645 ' CD1' HD21 ' A' ' 612' ' ' LEU . 2.8 m-85 -123.58 164.79 18.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -114.68 16.45 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -158.93 147.78 18.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.709 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.2 m -97.54 24.78 6.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.0 -42.54 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.547 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -85.57 -26.35 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.645 HD21 ' CD1' ' A' ' 606' ' ' PHE . 14.8 mt -56.74 -23.71 44.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.094 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 56.4 p -70.38 -40.62 73.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -31.92 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 618' ' ' THR . 33.6 t60 -72.26 -50.64 25.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 612' ' ' LEU . 13.2 mt -62.04 -29.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -55.17 -45.12 75.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.3 t -74.26 -27.74 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.454 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.636 0.255 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.27 -20.43 6.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.594 2.196 . . . . 0.0 112.421 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.2 mt-10 -86.91 -26.78 23.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.534 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.1 p -131.7 172.03 8.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.534 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.5 Cg_endo -89.55 -6.68 5.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.684 2.256 . . . . 0.0 112.745 -179.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.9 154.15 31.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.293 . . . . 0.0 110.727 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -129.92 147.54 51.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -122.76 133.76 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -13.37 61.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.287 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.77 176.95 7.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.13 11.05 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.343 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -91.39 -47.57 7.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.883 0.373 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -75.63 -28.63 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 616' ' ' ILE . 1.1 mt -55.21 -24.29 26.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -36.59 84.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -35.47 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -74.08 -44.15 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.652 HD11 HD22 ' A' ' 612' ' ' LEU . 12.3 mt -67.94 -41.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.502 -179.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -31.79 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -30.24 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.443 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.5 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.401 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 52.6 t . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.595 0.236 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.08 -15.62 18.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.524 2.149 . . . . 0.0 112.741 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -92.83 16.76 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.501 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.584 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 16.8 p -176.64 178.03 0.46 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 120.65 0.262 . . . . 0.0 110.749 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.584 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.03 -16.82 1.74 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.943 2.429 . . . . 0.0 112.864 -179.699 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 143.56 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -124.96 149.32 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.619 ' HB2' HD23 ' A' ' 612' ' ' LEU . 10.8 m-85 -125.53 143.93 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 10.0 ptm -97.78 25.75 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -158.38 169.08 25.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 13.7 p -106.34 -27.56 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.26 -47.6 83.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -81.17 -37.64 28.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.029 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.837 ' O ' HD13 ' A' ' 612' ' ' LEU . 1.4 tm? -61.34 -17.74 55.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 54.7 p -73.72 -40.94 63.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -75.65 -32.02 60.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.645 ' O ' HG22 ' A' ' 618' ' ' THR . 13.9 t60 -60.38 -46.25 90.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.711 HD11 ' CD1' ' A' ' 612' ' ' LEU . 42.5 mt -70.86 -31.05 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -57.55 -43.62 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.6 t -71.12 -29.8 65.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.401 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 2.1 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.447 ' HG ' ' CD2' ' A' ' 619' ' ' HIS . 41.5 t . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.493 0.187 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.48 -13.35 38.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.579 2.186 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.03 -23.81 26.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.587 -179.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.601 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.0 p -137.01 179.42 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.718 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.601 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.71 -15.01 2.29 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.672 2.248 . . . . 0.0 112.634 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 131.76 50.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.751 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 153.95 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.94 159.82 28.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.979 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.1 ttm -101.45 29.5 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.18 179.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -26.57 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -47.62 81.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.072 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -34.93 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 616' ' ' ILE . 0.6 OUTLIER -61.48 -17.53 54.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 179.887 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.5 t -73.6 -41.02 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -71.13 -31.95 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.638 ' O ' HG22 ' A' ' 618' ' ' THR . 41.8 t60 -65.4 -43.35 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.497 HD11 HD22 ' A' ' 612' ' ' LEU . 12.2 mt -70.78 -31.42 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -44.88 95.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.8 t -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.447 ' CD2' ' HG ' ' A' ' 599' ' ' CYS . 1.3 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.563 0.221 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.42 -9.66 10.19 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.685 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -103.18 -26.63 12.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.3 -179.727 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.554 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 29.1 p -132.2 174.28 4.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.503 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.554 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -89.95 -7.19 4.61 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.75 2.3 . . . . 0.0 112.999 -179.447 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -60.76 157.92 13.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.633 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -132.47 148.72 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.448 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -125.52 138.06 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -6.37 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.61 173.19 11.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 38.4 p -109.84 -27.03 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -47.52 85.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -73.32 -33.88 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.448 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -60.2 -19.07 52.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.824 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 5.3 m -72.13 -42.42 66.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -69.02 -31.97 71.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.821 ' O ' HG22 ' A' ' 618' ' ' THR . 28.5 t60 -69.22 -47.53 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.042 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.412 HD11 HD22 ' A' ' 612' ' ' LEU . 15.6 mt -62.95 -29.68 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -54.88 -42.93 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.821 HG22 ' O ' ' A' ' 615' ' ' HIS . 13.0 t -72.57 -26.73 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.418 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 47.9 t . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.578 0.227 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.55 -33.97 0.83 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.537 2.158 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.7 mp0 -62.75 -25.37 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.2 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.58 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.5 p -133.98 176.55 2.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.58 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.36 -14.46 2.6 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.702 2.268 . . . . 0.0 112.743 -179.668 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -61.1 136.59 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -117.48 158.39 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 5.6 m-85 -128.91 150.72 50.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 4.1 mmt -94.33 18.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -152.11 175.55 12.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.7 p -112.41 -24.94 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -47.53 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -75.98 -33.27 59.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 612' ' ' LEU . 0.9 OUTLIER -65.88 -14.53 61.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 179.897 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 27.7 t -79.32 -37.56 37.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.853 0.358 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.85 64.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.88 ' O ' HG22 ' A' ' 618' ' ' THR . 69.3 t60 -60.09 -44.24 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.332 -179.789 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 33.9 mm -57.1 -29.56 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -29.39 53.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.307 -179.738 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.88 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.3 t -70.9 -31.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 65.0 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.4 ' CB ' ' HG ' ' A' ' 602' ' ' CYS . 53.0 t . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.547 0.213 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.74 -23.12 4.96 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.559 2.173 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -76.3 -27.02 56.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.556 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.7 p -133.41 174.42 4.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.476 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.556 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -89.81 16.1 1.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 112.815 -179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -79.52 173.81 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -140.86 142.45 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.427 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 8.5 m-85 -125.84 122.1 35.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 32.8 tpp -62.53 -18.35 61.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -133.29 178.19 7.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 47.2 t -112.42 -22.92 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.261 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -55.7 -47.67 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -74.18 -31.27 62.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 616' ' ' ILE . 4.4 mt -55.86 -23.65 32.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.751 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -41.06 99.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.705 179.811 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -75.66 -34.49 60.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 618' ' ' THR . 60.9 t60 -74.21 -43.47 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.433 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.441 HD11 HD22 ' A' ' 612' ' ' LEU . 24.0 mt -70.91 -40.23 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.632 -179.496 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 618' ' ' THR . 0.0 OUTLIER -59.62 -39.33 83.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 111.16 -179.682 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 615' ' ' HIS . 12.7 t -70.67 -28.53 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.776 179.823 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.48 ' HB3' ' HG ' ' A' ' 602' ' ' CYS . 42.0 t . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.57 0.224 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.78 -28.43 2.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.173 . . . . 0.0 112.417 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.82 -24.49 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.593 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.9 p -135.29 178.09 1.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.593 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.5 Cg_endo -89.61 -13.06 2.85 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.725 2.283 . . . . 0.0 112.74 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.82 149.16 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 110.807 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -117.59 157.62 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.505 ' CD1' HD23 ' A' ' 612' ' ' LEU . 24.1 m-85 -136.35 -43.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.4 mtp 66.25 31.14 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -160.8 99.2 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 45.9 t -58.25 -28.4 64.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -47.6 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -90.47 -35.46 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.832 ' O ' HD13 ' A' ' 612' ' ' LEU . 3.4 tm? -57.51 -21.02 35.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.733 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 616' ' ' ILE . 1.3 m -67.98 -38.92 83.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.777 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -31.98 71.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.85 -38.07 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.79 HD11 ' CD1' ' A' ' 612' ' ' LEU . 15.5 mt -68.14 -33.01 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -60.87 -32.04 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -30.92 44.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.717 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.902 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.408 ' SG ' ' CD2' ' A' ' 619' ' ' HIS . 53.8 t . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.536 0.208 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.54 -17.21 10.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.172 . . . . 0.0 112.934 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -93.09 18.81 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.584 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.583 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.1 p -177.01 176.73 0.5 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.695 179.746 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 64.8 Cg_endo -90.32 -15.41 1.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.936 2.424 . . . . 0.0 112.878 -179.634 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 138.12 57.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -115.86 156.93 25.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.415 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 7.0 m-85 -127.56 167.94 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -119.36 23.31 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.31 148.42 4.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.747 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.84 20.74 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -100.8 -42.73 6.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.47 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -83.92 -28.83 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.993 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.415 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 2.0 mt -58.55 -21.65 53.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 30.3 m -67.88 -39.88 83.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -75.56 -31.96 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -69.73 -46.44 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.3 -29.88 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -61.25 -32.0 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -30.44 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 599' ' ' CYS . . . . . 0.432 ' CB ' ' HG ' ' A' ' 602' ' ' CYS . 54.0 t . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.573 0.225 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.46 -24.72 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.89 -26.62 49.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 25.7 p -134.71 173.96 5.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.771 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 603' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.9 Cg_endo -91.26 20.63 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.004 2.469 . . . . 0.0 112.746 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -90.3 150.16 22.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -127.93 154.09 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 2.8 m-85 -132.5 156.64 46.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.6 mtt -98.9 30.06 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -173.45 171.5 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 6.6 t -108.1 -25.14 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -47.69 81.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -77.33 -34.7 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -60.29 -19.17 53.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.648 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -42.79 70.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -72.51 -31.91 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 615' ' ' HIS . . . . . 0.454 ' O ' HG22 ' A' ' 618' ' ' THR . 66.5 t60 -66.55 -47.99 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.637 HD11 HD22 ' A' ' 612' ' ' LEU . 16.8 mt -66.66 -29.73 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -55.4 -51.82 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.096 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 618' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 615' ' ' HIS . 2.7 t -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 619' ' ' HIS . . . . . 0.411 ' CD2' ' SG ' ' A' ' 599' ' ' CYS . 1.5 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 18.4 tttm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -88.84 77.29 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 612' ' ' LEU . 34.3 m-85 -84.82 154.99 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -161.92 126.08 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.51 130.08 84.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.86 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.457 2.105 . . . . 0.0 112.628 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.3 mm-40 -105.63 -27.28 11.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.0 p -134.11 172.88 6.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.69 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.541 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.8 Cg_endo -89.88 -14.46 2.35 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.877 2.385 . . . . 0.0 112.648 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -61.78 154.21 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -140.84 149.93 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.03 129.7 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.14 -24.12 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -98.36 162.02 13.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.566 ' HA ' HD12 ' A' ' 612' ' ' LEU . 0.3 OUTLIER -110.97 -25.92 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.054 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.42 -47.55 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -67.99 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 609' ' ' SER . 15.5 mt -58.09 -21.24 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.018 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.3 p -68.79 -44.47 73.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -75.41 -32.0 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -70.34 -50.75 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 612' ' ' LEU . 16.3 mt -68.68 -29.88 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -53.22 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 -27.29 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.442 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER -56.87 -36.78 70.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -96.86 157.29 15.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -140.47 154.39 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -90.21 108.8 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 10.2 tttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.9 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.923 0.392 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.61 30.16 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.403 ' CG ' ' OG ' ' A' ' 609' ' ' SER . 21.9 m-85 -117.75 144.6 45.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 612' ' ' LEU . . . -175.75 173.11 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.07 134.08 95.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.32 -22.91 10.62 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.487 2.125 . . . . 0.0 112.574 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.2 0.67 15.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.682 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.43 ' HB3' ' CD ' ' A' ' 603' ' ' PRO . 6.7 m -144.33 170.07 8.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' ' 602' ' ' CYS . 1.0 OUTLIER -84.92 -14.4 6.23 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 123.406 2.737 . . . . 0.0 112.783 -179.34 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 615' ' ' HIS . 2.1 mptp? -52.95 121.99 8.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . 0.459 ' HG2' ' HB2' ' A' ' 598' ' ' ALA . 0.7 OUTLIER -127.07 168.88 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.419 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 52.8 m-85 -146.65 -177.84 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 8.5 mtt -80.98 -32.15 34.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.5 -178.48 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.403 ' OG ' ' CG ' ' A' ' 597' ' ' PHE . 0.4 OUTLIER -98.32 29.1 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 -47.64 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.799 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -81.62 -31.26 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.464 HD21 ' HA ' ' A' ' 598' ' ' ALA . 7.7 mt -57.22 -22.3 39.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.4 m -68.35 -31.15 70.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -35.28 66.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.416 ' CE1' ' HG2' ' A' ' 604' ' ' LYS . 69.6 t60 -74.02 -38.02 64.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 8.8 mt -70.9 -46.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.311 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . 0.45 ' HE3' HG23 ' A' ' 618' ' ' THR . 0.0 OUTLIER -60.75 -30.43 69.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.022 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.45 HG23 ' HE3' ' A' ' 617' ' ' LYS . 0.1 OUTLIER -67.11 -31.61 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.68 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -61.72 -49.95 74.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 54.61 35.5 23.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.25 -31.66 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.42 101.14 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.91 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -109.91 31.32 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.716 ' HB3' HD11 ' A' ' 612' ' ' LEU . 30.6 m-85 -142.96 149.0 37.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -164.06 142.56 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.51 127.95 58.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.56 -1.18 11.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.488 2.126 . . . . 0.0 112.675 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 10.3 mm-40 -108.48 -27.29 10.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.7 p -133.9 172.58 7.08 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.684 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.7 Cg_endo -89.49 -15.68 2.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.842 2.361 . . . . 0.0 112.613 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -62.69 145.76 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . 0.405 ' O ' ' CD1' ' A' ' 606' ' ' PHE . 6.9 mtm180 -127.19 156.5 41.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 605' ' ' ARG . 8.6 m-85 -136.83 152.41 50.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.71 23.99 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -147.39 126.43 12.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.786 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -27.01 59.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.65 -47.5 85.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -67.65 -31.15 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.012 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 597' ' ' PHE . 10.2 mt -58.97 -20.62 54.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.5 m -73.46 -44.15 58.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -75.69 -32.53 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 618' ' ' THR . 19.6 t60 -72.61 -52.69 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.538 HD11 HD22 ' A' ' 612' ' ' LEU . 27.0 mt -65.64 -29.86 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.22 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.6 t -70.65 -27.98 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.44 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.4 OUTLIER -58.07 -31.03 66.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.921 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -91.35 139.67 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 61.01 155.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -99.73 111.64 23.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.816 0.341 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -138.82 34.31 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -144.34 89.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -147.41 -173.4 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.49 139.92 26.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.04 -24.11 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.596 2.197 . . . . 0.0 112.374 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.425 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.0 mm-40 -83.21 -27.53 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.553 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 29.5 p -133.07 172.8 6.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.706 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.553 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.2 Cg_endo -90.21 -11.1 3.14 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.901 2.4 . . . . 0.0 112.655 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -61.29 138.29 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.798 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.94 156.94 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -129.98 155.82 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -101.21 27.76 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 177.29 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.782 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.4 t -112.15 -28.61 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.25 -47.69 84.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.065 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -35.48 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 612' ' ' LEU . 0.7 OUTLIER -66.48 -13.53 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 28.7 t -80.51 -37.32 31.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.62 -31.92 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.32 -36.82 85.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.1 mt -70.76 -30.13 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -62.17 -35.58 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -30.15 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.0 m-70 -67.67 -45.32 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 55.4 101.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.054 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -123.0 31.9 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -87.14 141.23 28.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 17.2 pttt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.902 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 3.6 pttt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.783 0.325 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 2.0 tttm 64.1 31.08 13.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.4 79.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -127.3 -173.71 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 141.07 22.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.59 -21.68 4.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 17.7 mt-10 -86.86 -27.26 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.291 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.531 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.3 p -132.14 172.66 7.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.629 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.531 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.19 -6.26 4.68 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.827 2.351 . . . . 0.0 112.798 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -62.27 155.37 25.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.822 0.344 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.36 145.5 47.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -122.0 155.18 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.7 ttm -102.64 31.43 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -169.08 -179.58 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.88 -31.65 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.099 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -35.3 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.683 HD22 HD11 ' A' ' 616' ' ' ILE . 0.9 OUTLIER -66.69 -13.6 61.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 44.2 t -80.88 -35.06 33.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.36 -41.87 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.683 HD11 HD22 ' A' ' 612' ' ' LEU . 41.1 mt -70.72 -31.77 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -60.91 -30.52 70.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 -61.57 -29.93 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -82.72 132.82 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -113.83 -58.54 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 113.31 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 17.0 mttt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.915 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 7.2 tttt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.54 31.41 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -154.63 84.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -128.95 166.37 19.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 45.3 t -77.99 131.41 69.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.63 -28.08 2.37 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.226 . . . . 0.0 112.397 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.15 -25.46 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.579 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.3 p -134.7 176.78 2.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.579 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 61.2 Cg_endo -90.05 -15.38 2.05 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.818 2.346 . . . . 0.0 112.739 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.46 128.98 38.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -108.0 149.17 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -118.26 144.11 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mmt -97.57 27.94 4.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.9 173.4 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 74.1 m -110.01 -25.08 10.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.58 -47.21 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -73.93 -34.36 64.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.03 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.766 HD22 HD11 ' A' ' 616' ' ' ILE . 0.5 OUTLIER -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 52.5 p -76.21 -40.84 51.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.843 0.354 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.05 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -64.17 -48.16 77.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.071 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.766 HD11 HD22 ' A' ' 612' ' ' LEU . 30.1 mt -68.78 -31.49 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.089 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -60.87 -33.75 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.95 -31.14 58.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -59.87 -31.49 69.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.41 134.45 35.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -142.18 -47.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.19 122.84 28.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.905 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.821 0.343 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 10.9 mttt 59.02 27.08 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.427 ' CG ' ' HB2' ' A' ' 609' ' ' SER . 12.7 m-85 -163.41 -74.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.746 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . 57.53 -177.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.256 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -100.38 116.74 64.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -79.93 2.43 8.42 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.734 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.445 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.3 mm-40 -105.11 -27.96 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.72 0.295 . . . . 0.0 111.216 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.481 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 23.2 p -130.09 168.24 17.5 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 74.5 Cg_endo -90.85 83.14 0.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.766 2.311 . . . . 0.0 112.894 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -176.35 139.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 158.46 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.446 ' CD2' ' HG ' ' A' ' 612' ' ' LEU . 4.8 m-85 -124.41 160.08 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 7.9 mmt -58.46 -37.28 75.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.088 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.04 -168.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.427 ' HB2' ' CG ' ' A' ' 597' ' ' PHE . 16.5 t -105.12 28.29 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.055 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -47.61 8.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -94.51 -27.37 16.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 616' ' ' ILE . 1.1 mt -52.25 -26.81 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -42.36 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -31.96 60.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -72.37 -43.75 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.637 HD11 HD22 ' A' ' 612' ' ' LEU . 10.3 mt -70.83 -29.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -30.67 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 -62.44 -29.75 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -71.85 167.96 18.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.17 98.03 9.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -82.21 98.15 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 1.6 pttp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.875 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.826 0.346 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 1.4 tttp 61.77 33.95 17.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -91.17 170.23 10.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -149.34 174.12 12.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.14 138.61 20.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.84 -19.84 6.93 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.645 2.23 . . . . 0.0 112.546 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 30.9 mm-40 -90.26 -26.85 19.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.549 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.5 p -133.49 173.64 5.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.2 Cg_endo -89.97 -13.59 2.54 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.849 2.366 . . . . 0.0 112.618 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -60.23 141.1 56.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.846 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.73 146.7 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.428 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.0 m-85 -117.94 144.03 45.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.65 10.72 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -146.08 174.79 10.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.14 -26.21 9.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.39 -47.59 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.66 -34.72 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.037 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.98 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -61.81 -17.74 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -41.27 62.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -31.96 67.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.746 ' O ' HG22 ' A' ' 618' ' ' THR . 20.7 t60 -71.48 -52.53 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.98 HD11 HD22 ' A' ' 612' ' ' LEU . 39.5 mt -63.84 -29.86 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.054 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -57.63 -45.67 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 615' ' ' HIS . 11.6 t -70.94 -27.59 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER -59.01 -30.14 67.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -119.94 133.8 55.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.97 126.18 26.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -94.7 130.42 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.844 0.354 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 3.1 tttp 61.65 49.63 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -79.72 89.93 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -131.07 179.21 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.12 139.77 22.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.28 -24.18 3.2 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.618 2.212 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.4 mm-40 -83.87 -27.97 28.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.544 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 30.7 p -132.12 172.49 7.29 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.597 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -90.12 -7.38 4.41 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.879 2.386 . . . . 0.0 112.813 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 163.66 7.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -141.01 154.08 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.432 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.3 m-85 -133.06 176.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.44 29.09 4.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -172.24 120.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 5.4 t -62.86 -21.15 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -56.02 -47.59 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -88.05 -37.01 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.432 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -59.86 -18.64 45.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.3 m -71.09 -42.19 69.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -72.78 -31.89 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.706 ' O ' HG22 ' A' ' 618' ' ' THR . 16.9 t60 -64.87 -44.14 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.25 -29.9 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -55.89 -51.02 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.2 t -62.19 -28.89 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 -67.43 -47.84 69.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.765 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 57.94 95.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -88.78 -70.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -110.85 141.41 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.891 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.81 0.338 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -21.11 66.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -134.74 144.72 47.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -159.9 154.66 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.46 130.34 39.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.62 -24.35 3.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.567 2.178 . . . . 0.0 112.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -78.26 -28.61 47.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.312 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.2 p -132.86 173.1 6.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.63 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.541 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 57.6 Cg_endo -89.33 -3.5 5.94 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.748 2.299 . . . . 0.0 112.771 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.27 152.85 42.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -124.97 146.11 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.403 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 8.3 m-85 -123.22 157.12 33.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -115.04 26.15 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -168.54 147.7 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.8 p -95.4 21.03 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.4 -45.03 5.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.398 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -82.1 -29.69 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.959 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.403 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 7.5 mt -59.5 -20.74 57.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.004 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 2.0 t -68.66 -42.44 77.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -75.64 -31.97 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.673 ' O ' HG22 ' A' ' 618' ' ' THR . 18.4 t60 -72.32 -52.6 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.71 -29.91 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -46.17 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.76 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.0 t -70.78 -28.11 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.3 OUTLIER -58.52 -30.9 67.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -101.65 -49.07 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 60.08 94.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -61.33 143.98 54.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.198 -0.905 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.835 0.35 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 60.12 31.5 20.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.442 ' HB3' HD12 ' A' ' 612' ' ' LEU . 22.4 m-85 -156.68 111.77 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -150.18 168.11 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 50.1 t -85.48 130.2 52.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.75 -27.81 2.44 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.541 2.161 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.39 -25.47 62.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.584 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.4 p -134.46 176.76 2.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.533 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.584 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 65.1 Cg_endo -90.28 -10.77 3.2 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.739 2.293 . . . . 0.0 113.096 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 142.52 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.785 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -119.79 153.79 35.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.3 m-85 -126.35 141.48 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -20.02 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.51 -174.14 3.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' A' ' 597' ' ' PHE . 1.0 OUTLIER -114.06 -25.24 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.272 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.73 -47.63 79.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -71.0 -32.47 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 616' ' ' ILE . 4.5 mt -57.11 -21.91 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.6 p -66.58 -40.4 88.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -31.92 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.72 -44.63 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 612' ' ' LEU . 9.0 mt -69.63 -29.81 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.158 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -60.59 -31.48 70.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -30.32 48.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -63.19 -32.67 74.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -74.58 105.4 5.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -178.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.91 128.08 49.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -88.57 77.45 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 609' ' ' SER . 45.8 m-85 -145.05 122.23 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -145.28 -179.96 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.1 t -108.84 125.58 31.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -80.37 -27.7 3.34 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.2 -25.74 64.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.257 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.577 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 26.6 p -134.31 176.12 3.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.577 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.75 -9.1 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.766 2.31 . . . . 0.0 113.062 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 149.97 34.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -131.32 142.65 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.515 ' CG ' HD23 ' A' ' 612' ' ' LEU . 5.3 m-85 -117.27 177.36 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.1 ttp -123.17 29.98 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.77 -179.37 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.443 ' HB2' ' CE2' ' A' ' 597' ' ' PHE . 24.6 t -110.8 -23.1 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.65 -47.6 76.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -84.51 -36.04 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.744 ' O ' HD13 ' A' ' 612' ' ' LEU . 0.5 OUTLIER -62.18 -17.17 57.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.06 179.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -41.47 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.399 . . . . 0.0 110.737 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -75.74 -32.03 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -61.18 -45.54 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.644 HD11 ' CD1' ' A' ' 612' ' ' LEU . 37.3 mt -68.73 -29.93 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.9 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -30.95 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -63.2 -33.48 75.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.21 123.99 28.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -142.26 161.71 37.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -102.64 148.33 25.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.902 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.794 0.33 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -165.67 66.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -78.59 -67.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.523 ' C ' HD11 ' A' ' 612' ' ' LEU . . . 58.85 173.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 47.3 t -92.44 133.8 29.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -83.47 -27.1 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.656 2.238 . . . . 0.0 112.49 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.8 mm-40 -77.35 -27.83 52.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.558 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.1 p -133.69 175.96 3.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.558 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.0 Cg_endo -91.47 24.65 0.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.802 2.335 . . . . 0.0 113.015 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -81.71 176.1 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.899 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -146.5 143.74 29.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.431 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.6 m-85 -130.21 150.08 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . 0.401 ' HE2' ' HB3' ' A' ' 607' ' ' MET . 5.7 ttp -98.77 29.83 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.96 142.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 3.9 m -82.18 -26.95 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -47.68 83.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.081 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -77.96 -34.79 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.523 HD11 ' C ' ' A' ' 598' ' ' ALA . 0.5 OUTLIER -60.14 -18.9 50.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -41.89 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -65.83 -31.84 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.696 ' O ' HG22 ' A' ' 618' ' ' THR . 40.3 t60 -66.87 -48.45 68.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 612' ' ' LEU . 33.3 mm -59.03 -29.82 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.232 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -50.6 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.7 t -67.92 -30.7 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.6 m-70 -62.83 -40.37 97.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -82.97 -51.03 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 61.57 85.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 127.85 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.62 31.34 9.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -133.76 77.02 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -131.01 179.1 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.38 135.56 19.83 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.54 -14.75 12.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.565 2.177 . . . . 0.0 112.628 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.22 -25.38 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.329 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.579 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.9 p -135.78 176.15 3.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.724 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.579 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.67 -15.36 2.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.855 2.37 . . . . 0.0 112.598 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -62.14 117.51 6.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 160.82 21.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.447 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 1.6 m-85 -140.1 -179.88 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.743 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 18.9 mtp -115.11 13.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -143.8 145.52 32.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -21.73 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.26 -47.54 78.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -82.18 -36.43 27.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 616' ' ' ILE . 2.9 mt -60.57 -18.08 50.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 25.9 p -72.95 -42.54 63.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.03 59.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.761 ' O ' HG22 ' A' ' 618' ' ' THR . 8.6 t60 -66.49 -46.94 74.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 612' ' ' LEU . 15.2 mt -70.82 -29.82 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -57.16 -41.09 78.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 615' ' ' HIS . 10.9 t -71.72 -27.09 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.21 -32.58 74.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.27 118.6 31.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -138.33 128.83 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.21 111.73 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.829 0.347 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.95 31.8 6.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 57.75 107.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -101.95 119.2 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.89 136.57 90.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.49 -13.22 16.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.535 2.156 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.1 mm-40 -105.02 -26.55 12.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.254 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.57 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 17.8 p -135.23 175.53 3.55 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.796 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.57 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 63.9 Cg_endo -90.82 -14.02 2.0 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.0 2.467 . . . . 0.0 112.752 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 151.43 24.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -124.9 157.72 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.448 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.3 m-85 -131.2 146.06 52.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.5 mtt -96.8 27.0 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.57 171.38 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.3 m -110.48 -21.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -47.62 80.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -75.19 -38.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.967 HD22 HD11 ' A' ' 616' ' ' ILE . 0.5 OUTLIER -60.13 -18.01 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 45.9 t -72.13 -42.3 66.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.89 0.376 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -31.92 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.674 ' O ' HG22 ' A' ' 618' ' ' THR . 83.7 t60 -68.02 -50.64 54.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.967 HD11 HD22 ' A' ' 612' ' ' LEU . 17.9 mt -64.69 -29.84 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -57.19 -46.15 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.0 t -72.06 -27.54 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.429 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.1 m-70 -59.02 -30.47 68.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -88.11 -63.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -136.56 149.5 48.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.04 90.14 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -83.4 75.75 9.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -129.33 89.9 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -153.63 -174.55 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 138.31 19.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.4 -25.22 2.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 1.9 mm-40 -80.12 -28.85 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.525 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 31.8 p -131.28 172.42 7.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.564 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.525 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 66.3 Cg_endo -90.64 17.9 1.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.756 2.304 . . . . 0.0 112.905 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.06 169.02 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 0.0 110.802 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -146.47 145.65 30.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.429 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 13.6 m-85 -131.89 166.68 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 29.4 mtm -118.05 27.22 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.702 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -175.62 152.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -21.31 27.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -47.69 82.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.08 -35.14 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.223 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.739 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -59.57 -18.68 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 79.0 p -72.5 -39.39 67.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.049 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.45 69.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.902 ' O ' HG22 ' A' ' 618' ' ' THR . 10.2 t60 -65.78 -52.34 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.739 HD11 HD22 ' A' ' 612' ' ' LEU . 33.7 mt -62.81 -29.53 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.107 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -38.61 67.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.251 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 615' ' ' HIS . 14.5 t -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 2.5 m-70 -66.02 -30.24 70.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -72.44 95.48 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -99.85 140.45 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -74.45 147.84 41.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.851 0.358 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -97.45 -21.43 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -141.2 -57.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . 61.12 168.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 43.3 t -110.6 116.6 52.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.41 -2.53 12.74 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.494 2.129 . . . . 0.0 112.889 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -105.94 19.07 21.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.587 0.232 . . . . 0.0 111.317 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.585 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.0 p -177.62 175.85 0.53 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.585 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 56.9 Cg_endo -89.32 -13.67 2.84 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.921 2.414 . . . . 0.0 112.735 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 160.71 9.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.801 0.334 . . . . 0.0 110.88 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -137.13 144.97 43.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.445 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 6.0 m-85 -122.6 144.18 49.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.92 30.17 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.26 172.93 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 3.3 p -109.29 -24.96 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -59.35 -47.55 84.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -78.04 -35.96 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.987 HD22 HD11 ' A' ' 616' ' ' ILE . 0.6 OUTLIER -60.41 -18.37 50.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.755 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 8.6 t -71.72 -40.4 69.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.761 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -75.59 -31.94 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.41 -50.22 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.987 HD11 HD22 ' A' ' 612' ' ' LEU . 17.9 mt -65.98 -30.0 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.65 -36.77 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -30.06 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.745 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.4 m-70 -59.36 -34.06 71.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -71.57 125.19 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -81.75 -177.62 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 111.88 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.9 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -95.56 43.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.684 ' HB3' HD12 ' A' ' 612' ' ' LEU . 18.0 m-85 -134.94 113.89 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -152.29 -175.83 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.3 137.39 23.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -83.56 -24.78 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.97 -27.87 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.538 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.5 p -132.94 172.63 7.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.72 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.538 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 60.0 Cg_endo -90.07 -6.06 4.83 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.872 2.382 . . . . 0.0 112.726 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -64.19 143.31 57.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.78 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -123.98 144.11 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -119.65 148.32 43.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.2 mtt -97.03 27.43 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -162.26 -179.4 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.4 p -114.83 -30.8 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -60.73 -46.92 88.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.225 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.91 -36.66 56.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 616' ' ' ILE . 0.7 OUTLIER -63.51 -15.6 58.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.019 179.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 74.9 m -75.98 -39.32 56.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.793 0.33 . . . . 0.0 110.828 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -73.92 -31.9 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.688 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -65.7 -45.0 84.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 612' ' ' LEU . 27.3 mt -70.75 -31.72 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -61.55 -29.44 70.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 622' ' ' LYS . 0.2 OUTLIER -79.61 -30.5 41.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -60.49 -24.77 65.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -58.06 -72.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -151.36 -50.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.498 ' O ' HG22 ' A' ' 618' ' ' THR . 0.0 OUTLIER -68.67 99.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.891 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.5 30.05 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -146.64 92.11 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -137.2 179.03 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.38 131.98 21.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.1 -15.9 11.4 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.9 -25.58 19.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.573 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 22.2 p -135.51 175.43 3.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.761 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 62.0 Cg_endo -90.21 -13.37 2.47 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.874 2.383 . . . . 0.0 112.606 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.29 142.79 54.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -128.94 153.08 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -133.83 164.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 30.3 mtt -103.93 37.01 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -173.58 138.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -23.81 32.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.2 -47.56 78.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.12 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -31.81 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 616' ' ' ILE . 10.6 mt -57.29 -22.41 41.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -46.6 77.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.751 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -75.7 -31.7 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.562 ' O ' HG22 ' A' ' 618' ' ' THR . 9.0 t60 -74.11 -46.1 44.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.482 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.413 HD11 HD22 ' A' ' 612' ' ' LEU . 29.6 mt -70.85 -41.6 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.751 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 615' ' ' HIS . 14.2 t -69.5 -28.27 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -27.53 61.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.15 111.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -60.86 121.88 13.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -126.65 90.44 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 16.6 tttm . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.896 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 5.4 tptt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.953 0.406 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 10.1 tttt 60.35 34.21 20.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.576 ' CD2' HD13 ' A' ' 612' ' ' LEU . 0.3 OUTLIER -140.33 129.75 24.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -149.79 177.75 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.221 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 49.7 t -97.17 119.63 62.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.71 -7.4 17.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.456 2.104 . . . . 0.0 112.726 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 62.1 mm-40 -93.33 -27.41 16.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.548 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.3 p -133.75 173.62 5.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.543 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.548 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.6 Cg_endo -89.4 13.49 2.4 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.694 2.262 . . . . 0.0 112.935 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -75.62 179.93 5.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -153.89 146.91 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.456 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 3.1 m-85 -132.31 148.9 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.765 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.39 22.89 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -154.19 173.19 16.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.412 ' HA ' ' CD2' ' A' ' 597' ' ' PHE . 1.8 p -112.42 -22.72 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.57 74.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -74.1 -38.81 63.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.576 HD13 ' CD2' ' A' ' 597' ' ' PHE . 0.5 OUTLIER -62.26 -16.76 55.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 20.2 p -75.2 -42.02 56.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -75.76 -31.95 59.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -63.27 -46.12 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.421 HD11 HD22 ' A' ' 612' ' ' LEU . 34.1 mt -68.81 -29.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.91 -31.05 70.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -29.33 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.2 m-70 -60.38 -28.7 68.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.02 133.24 51.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -119.31 -44.61 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.24 98.2 11.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 11.8 tttt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.887 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.419 ' HG2' ' CE2' ' A' ' 597' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.844 0.354 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 34.14 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.419 ' CE2' ' HG2' ' A' ' 595' ' ' LYS . 26.9 m-85 -112.01 150.22 30.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.467 ' CA ' HD11 ' A' ' 612' ' ' LEU . . . -157.6 162.48 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 52.4 t -79.67 129.73 70.2 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.81 -24.62 4.01 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.18 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 3.6 mm-40 -76.23 -26.36 55.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.277 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.583 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.8 p -134.17 176.5 2.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 68.2 Cg_endo -90.53 -3.72 4.99 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.763 2.309 . . . . 0.0 113.309 -179.368 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -60.94 172.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.695 0.283 . . . . 0.0 110.806 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.38 151.23 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 4.2 m-85 -132.23 148.31 52.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 9.9 mtt -98.42 31.43 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . 0.401 ' HD3' ' CD2' ' A' ' 611' ' ' HIS . 5.9 ttt180 -176.44 126.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.405 ' HB2' ' CE2' ' A' ' 597' ' ' PHE . 0.2 OUTLIER -72.08 -26.34 62.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -47.55 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . 0.401 ' CD2' ' HD3' ' A' ' 608' ' ' ARG . 93.7 m-70 -81.87 -33.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.467 HD11 ' CA ' ' A' ' 598' ' ' ALA . 0.8 OUTLIER -59.24 -20.34 53.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 82.5 p -70.09 -43.37 71.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -65.44 -31.87 73.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -63.83 -42.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 38.9 mm -64.29 -29.86 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -37.93 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.742 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.08 -31.44 62.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 3.8 m-70 -66.13 -35.5 80.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.15 135.51 55.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.85 103.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.92 95.42 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 29.4 tttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -92.99 -15.4 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.358 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.437 ' HB3' HD11 ' A' ' 612' ' ' LEU . 21.3 m-85 59.08 86.63 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -91.48 119.03 31.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.25 141.06 62.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.1 -21.72 9.09 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.57 2.18 . . . . 0.0 112.611 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.454 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.2 mm-40 -98.87 -26.51 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.241 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.562 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 20.1 p -134.0 174.99 4.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.562 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 70.5 Cg_endo -91.16 -1.84 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.94 2.427 . . . . 0.0 113.012 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.41 161.43 7.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -135.93 148.29 48.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.645 ' CD1' HD21 ' A' ' 612' ' ' LEU . 2.8 m-85 -123.58 164.79 18.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -114.68 16.45 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -158.93 147.78 18.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.709 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.2 m -97.54 24.78 6.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.0 -42.54 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.547 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -85.57 -26.35 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.645 HD21 ' CD1' ' A' ' 606' ' ' PHE . 14.8 mt -56.74 -23.71 44.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.094 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 56.4 p -70.38 -40.62 73.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -31.92 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 618' ' ' THR . 33.6 t60 -72.26 -50.64 25.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 612' ' ' LEU . 13.2 mt -62.04 -29.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -55.17 -45.12 75.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.3 t -74.26 -27.74 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.454 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 0.7 OUTLIER -65.87 -34.42 78.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.5 143.62 44.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.82 137.13 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.2 140.77 36.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.888 -179.97 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.43 ' HG2' ' CE2' ' A' ' 597' ' ' PHE . 13.6 ptmt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.13 81.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' A' ' 595' ' ' LYS . 19.3 m-85 -85.53 133.26 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -148.61 -178.2 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 139.33 21.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.27 -20.43 6.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.594 2.196 . . . . 0.0 112.421 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.2 mt-10 -86.91 -26.78 23.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.534 ' HB2' ' HD2' ' A' ' 603' ' ' PRO . 31.1 p -131.7 172.03 8.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.534 ' HD2' ' HB2' ' A' ' 602' ' ' CYS . 58.5 Cg_endo -89.55 -6.68 5.07 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.684 2.256 . . . . 0.0 112.745 -179.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.9 154.15 31.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.293 . . . . 0.0 110.727 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -129.92 147.54 51.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.451 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -122.76 133.76 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -13.37 61.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.287 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.77 176.95 7.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.413 ' HB2' ' CE2' ' A' ' 597' ' ' PHE . 0.2 OUTLIER -122.13 11.05 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.343 179.927 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -91.39 -47.57 7.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.883 0.373 . . . . 0.0 110.636 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -75.63 -28.63 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 616' ' ' ILE . 1.1 mt -55.21 -24.29 26.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -36.59 84.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -35.47 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -74.08 -44.15 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.652 HD11 HD22 ' A' ' 612' ' ' LEU . 12.3 mt -67.94 -41.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.502 -179.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -31.79 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -30.24 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.443 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.5 m-70 -59.81 -29.81 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.12 159.71 33.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.51 108.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -91.47 101.21 13.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.892 -179.948 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.779 0.323 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -126.02 31.31 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -114.45 38.8 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -96.83 -170.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 52.6 t -122.59 121.42 27.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.736 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.08 -15.62 18.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.524 2.149 . . . . 0.0 112.741 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -92.83 16.76 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.501 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.584 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 16.8 p -176.64 178.03 0.46 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 120.65 0.262 . . . . 0.0 110.749 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.584 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -90.03 -16.82 1.74 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.943 2.429 . . . . 0.0 112.864 -179.699 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 143.56 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -124.96 149.32 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.619 ' HB2' HD23 ' A' ' 612' ' ' LEU . 10.8 m-85 -125.53 143.93 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 10.0 ptm -97.78 25.75 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -158.38 169.08 25.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 13.7 p -106.34 -27.56 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.26 -47.6 83.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -81.17 -37.64 28.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.029 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.837 ' O ' HD13 ' A' ' 612' ' ' LEU . 1.4 tm? -61.34 -17.74 55.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 54.7 p -73.72 -40.94 63.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -75.65 -32.02 60.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.645 ' O ' HG22 ' A' ' 618' ' ' THR . 13.9 t60 -60.38 -46.25 90.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.013 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.711 HD11 ' CD1' ' A' ' 612' ' ' LEU . 42.5 mt -70.86 -31.05 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -57.55 -43.62 84.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 615' ' ' HIS . 9.6 t -71.12 -29.8 65.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -59.59 -30.06 68.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -36.28 59.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -98.54 100.17 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -105.44 133.54 50.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 2.2 tttm . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.886 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.8 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 597' ' ' PHE . 0.6 OUTLIER -147.32 30.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.433 ' HB3' HD13 ' A' ' 612' ' ' LEU . 31.1 m-85 -143.72 123.31 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.79 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -153.42 132.99 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.251 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 41.5 t -57.18 108.03 1.11 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.48 -13.35 38.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.579 2.186 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.03 -23.81 26.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.587 -179.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.601 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.0 p -137.01 179.42 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.718 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.601 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.6 Cg_endo -89.71 -15.01 2.29 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.672 2.248 . . . . 0.0 112.634 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 131.76 50.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.751 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.87 153.95 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.94 159.82 28.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.979 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 5.1 ttm -101.45 29.5 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.18 179.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -26.57 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -47.62 81.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.072 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -34.93 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 616' ' ' ILE . 0.6 OUTLIER -61.48 -17.53 54.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 179.887 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.5 t -73.6 -41.02 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -71.13 -31.95 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.638 ' O ' HG22 ' A' ' 618' ' ' THR . 41.8 t60 -65.4 -43.35 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.497 HD11 HD22 ' A' ' 612' ' ' LEU . 12.2 mt -70.78 -31.42 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -44.88 95.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.8 t -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -58.13 -40.07 80.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -65.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -59.99 129.24 40.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -117.49 122.31 43.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.843 0.354 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.31 31.71 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.462 ' HB3' HD12 ' A' ' 612' ' ' LEU . 22.1 m-85 -137.44 94.63 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -116.51 -179.02 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.96 134.69 20.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.42 -9.66 10.19 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.685 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 5.7 mm-40 -103.18 -26.63 12.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.3 -179.727 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.554 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 29.1 p -132.2 174.28 4.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.503 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.554 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.7 Cg_endo -89.95 -7.19 4.61 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.75 2.3 . . . . 0.0 112.999 -179.447 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -60.76 157.92 13.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.633 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -132.47 148.72 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.448 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 5.8 m-85 -125.52 138.06 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -6.37 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.61 173.19 11.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 38.4 p -109.84 -27.03 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -47.52 85.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -73.32 -33.88 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 597' ' ' PHE . 0.4 OUTLIER -60.2 -19.07 52.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.824 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 5.3 m -72.13 -42.42 66.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -69.02 -31.97 71.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.821 ' O ' HG22 ' A' ' 618' ' ' THR . 28.5 t60 -69.22 -47.53 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.042 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.412 HD11 HD22 ' A' ' 612' ' ' LEU . 15.6 mt -62.95 -29.68 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -54.88 -42.93 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.821 HG22 ' O ' ' A' ' 615' ' ' HIS . 13.0 t -72.57 -26.73 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 1.9 m-70 -64.48 -30.11 71.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -86.64 -54.59 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.13 113.35 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.43 150.24 33.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.825 0.345 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.03 30.71 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -152.49 106.13 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.778 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.825 ' HA ' HD11 ' A' ' 612' ' ' LEU . . . -150.92 153.68 35.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.235 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 47.9 t -58.72 128.72 84.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.55 -33.97 0.83 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.537 2.158 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 4.7 mp0 -62.75 -25.37 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.2 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.58 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 23.5 p -133.98 176.55 2.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.58 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 58.0 Cg_endo -89.36 -14.46 2.6 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.702 2.268 . . . . 0.0 112.743 -179.668 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -61.1 136.59 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . 0.457 ' HA ' ' HB1' ' A' ' 598' ' ' ALA . 4.2 mtp-105 -117.48 158.39 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 612' ' ' LEU . 5.6 m-85 -128.91 150.72 50.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 4.1 mmt -94.33 18.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -152.11 175.55 12.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 1.7 p -112.41 -24.94 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -47.53 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -75.98 -33.27 59.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' A' ' 598' ' ' ALA . 0.9 OUTLIER -65.88 -14.53 61.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 179.897 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 27.7 t -79.32 -37.56 37.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.853 0.358 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.85 64.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.88 ' O ' HG22 ' A' ' 618' ' ' THR . 69.3 t60 -60.09 -44.24 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.332 -179.789 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.423 HG22 ' HG2' ' A' ' 620' ' ' GLN . 33.9 mm -57.1 -29.56 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -179.8 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -29.39 53.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.307 -179.738 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.88 HG22 ' O ' ' A' ' 615' ' ' HIS . 8.3 t -70.9 -31.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 65.0 m-70 -83.15 -35.6 25.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . 0.423 ' HG2' HG22 ' A' ' 616' ' ' ILE . 5.3 pt20 -126.93 118.3 24.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -93.92 -61.76 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.0 133.48 52.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.854 179.963 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.799 0.333 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 60.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -99.52 147.17 25.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -166.09 174.26 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 53.0 t -96.34 128.91 34.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.96 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.74 -23.12 4.96 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.559 2.173 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -76.3 -27.02 56.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.556 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 30.7 p -133.41 174.42 4.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.476 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.556 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 60.5 Cg_endo -89.81 16.1 1.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 112.815 -179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -79.52 173.81 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -140.86 142.45 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.427 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 8.5 m-85 -125.84 122.1 35.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 32.8 tpp -62.53 -18.35 61.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -133.29 178.19 7.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 47.2 t -112.42 -22.92 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.261 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -55.7 -47.67 76.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -74.18 -31.27 62.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 616' ' ' ILE . 4.4 mt -55.86 -23.65 32.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.751 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -41.06 99.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.705 179.811 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -75.66 -34.49 60.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 618' ' ' THR . 60.9 t60 -74.21 -43.47 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.433 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.441 HD11 HD22 ' A' ' 612' ' ' LEU . 24.0 mt -70.91 -40.23 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.632 -179.496 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 618' ' ' THR . 0.0 OUTLIER -59.62 -39.33 83.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 111.16 -179.682 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 615' ' ' HIS . 12.7 t -70.67 -28.53 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -60.1 -33.12 71.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.776 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -91.83 120.29 32.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.11 119.24 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -96.18 145.48 25.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.895 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 13.0 pttp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.885 0.374 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.13 30.43 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -97.78 57.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -93.8 173.14 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.66 130.95 53.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.78 -28.43 2.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.173 . . . . 0.0 112.417 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.82 -24.49 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.593 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 18.9 p -135.29 178.09 1.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.593 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 59.5 Cg_endo -89.61 -13.06 2.85 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.725 2.283 . . . . 0.0 112.74 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.82 149.16 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 110.807 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -117.59 157.62 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.505 ' CD1' HD23 ' A' ' 612' ' ' LEU . 24.1 m-85 -136.35 -43.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 20.4 mtp 66.25 31.14 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -160.8 99.2 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 45.9 t -58.25 -28.4 64.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -47.6 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -90.47 -35.46 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.832 ' O ' HD13 ' A' ' 612' ' ' LEU . 3.4 tm? -57.51 -21.02 35.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.733 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 616' ' ' ILE . 1.3 m -67.98 -38.92 83.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.777 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -31.98 71.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.85 -38.07 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.79 HD11 ' CD1' ' A' ' 612' ' ' LEU . 15.5 mt -68.14 -33.01 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -60.87 -32.04 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -30.92 44.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.717 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -64.36 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -113.05 111.85 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.6 127.36 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -93.4 140.28 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.928 179.987 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.904 0.383 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 34.44 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -134.41 115.32 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.786 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -155.51 -169.97 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.29 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 53.8 t -114.12 127.61 26.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.76 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.54 -17.21 10.14 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.559 2.172 . . . . 0.0 112.934 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 619' ' ' HIS . 2.3 mm-40 -93.09 18.81 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.584 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.583 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 19.1 p -177.01 176.73 0.5 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.695 179.746 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 64.8 Cg_endo -90.32 -15.41 1.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.936 2.424 . . . . 0.0 112.878 -179.634 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 138.12 57.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -115.86 156.93 25.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.415 ' CG ' ' HG ' ' A' ' 612' ' ' LEU . 7.0 m-85 -127.56 167.94 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -119.36 23.31 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.31 148.42 4.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.747 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.84 20.74 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -100.8 -42.73 6.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.47 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -83.92 -28.83 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.993 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.415 ' HG ' ' CG ' ' A' ' 606' ' ' PHE . 2.0 mt -58.55 -21.65 53.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 30.3 m -67.88 -39.88 83.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -75.56 -31.96 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -69.73 -46.44 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.3 -29.88 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -61.25 -32.0 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -30.44 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.708 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 601' ' ' GLU . 4.4 m-70 -60.99 -27.88 68.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -81.38 60.31 4.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -135.56 -47.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -126.56 89.37 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.801 0.334 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -98.82 31.13 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . 0.564 ' HB3' HD12 ' A' ' 612' ' ' LEU . 15.6 m-85 -128.16 68.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -116.15 137.93 51.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 599' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.51 133.54 95.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.46 -24.72 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.89 -26.62 49.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 602' ' ' CYS . . . . . 0.546 ' HB2' ' CD ' ' A' ' 603' ' ' PRO . 25.7 p -134.71 173.96 5.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.771 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 602' ' ' CYS . 73.9 Cg_endo -91.26 20.63 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.004 2.469 . . . . 0.0 112.746 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -90.3 150.16 22.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -127.93 154.09 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 606' ' ' PHE . 2.8 m-85 -132.5 156.64 46.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 1.6 mtt -98.9 30.06 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 608' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -173.45 171.5 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 6.6 t -108.1 -25.14 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -47.69 81.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 611' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -77.33 -34.7 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 616' ' ' ILE . 0.4 OUTLIER -60.29 -19.17 53.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.648 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -42.79 70.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 614' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -72.51 -31.91 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.454 ' O ' HG22 ' A' ' 618' ' ' THR . 66.5 t60 -66.55 -47.99 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.637 HD11 HD22 ' A' ' 612' ' ' LEU . 16.8 mt -66.66 -29.73 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 617' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -55.4 -51.82 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.096 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 618' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 615' ' ' HIS . 2.7 t -64.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 619' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -59.71 -43.43 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -64.98 80.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 621' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.68 91.68 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.06 152.47 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_