data_1wug_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 1wug _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 full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.25 110.8 13.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.274 -1.133 . . . . 0.0 110.294 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 58.15 159.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.309 -0.87 . . . . 0.0 110.494 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 4.6 mmt 50.85 37.25 16.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.209 -0.932 . . . . 0.0 110.602 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 721' ' ' GLU . 4.5 m -77.87 -44.01 28.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.213 -0.929 . . . . 0.0 110.434 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . 0.43 ' CD ' ' HA2' ' A' ' 828' ' ' GLY . 1.7 tppp? -58.03 87.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.299 -0.875 . . . . 0.0 110.447 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 719' ' ' SER . 6.1 tt0 -175.74 128.39 0.38 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.217 -0.927 . . . . 0.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 724' ' ' ASP . 48.1 Cg_endo -72.08 -42.51 1.49 Allowed 'Trans proline' 0 C--N 1.315 -1.214 0 O-C-N 123.443 1.233 . . . . 0.0 110.037 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 54.83 -87.07 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.58 -0.7 . . . . 0.0 111.179 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 722' ' ' PRO . 0.5 OUTLIER -51.47 122.59 20.32 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.977 -1.077 . . . . 0.0 110.711 -179.008 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -68.24 -10.55 29.27 Favored 'Trans proline' 0 C--N 1.315 -1.207 0 O-C-N 123.475 1.25 . . . . 0.0 110.683 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -89.14 -34.67 16.63 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.026 -1.046 . . . . 0.0 109.044 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -70.85 -42.83 69.62 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.573 0.702 . . . . 0.0 109.58 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 732' ' ' LEU . 14.4 tp -63.71 -33.79 76.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.54 -0.725 . . . . 0.0 110.689 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -50.27 -45.85 54.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.001 -1.062 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' SER . . . . . . . . . . . . . 4.9 p -85.23 -41.43 15.61 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.354 -0.841 . . . . 0.0 110.064 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 20.8 m -51.9 -38.31 55.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.11 -0.994 . . . . 0.0 109.306 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' LEU . . . . . 0.465 ' CD1' ' HG ' ' A' ' 728' ' ' LEU . 60.2 mt -74.46 -44.66 50.63 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -56.36 14.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.545 -0.722 . . . . 0.0 110.598 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -46.9 59.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 110.612 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 735' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.28 -60.35 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.29 -0.881 . . . . 0.0 110.271 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.437 HD21 ' CB ' ' A' ' 773' ' ' MET . 0.7 OUTLIER -53.19 -35.14 59.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.215 -0.928 . . . . 0.0 110.047 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -43.22 75.1 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.365 -0.834 . . . . 0.0 110.115 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.64 -47.96 61.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 110.134 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' VAL . . . . . 0.417 ' O ' ' CB ' ' A' ' 745' ' ' ALA . 83.8 t -51.78 -46.51 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.182 -0.949 . . . . 0.0 109.809 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -56.88 -51.08 70.45 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.366 -0.834 . . . . 0.0 109.843 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 5.3 t -67.61 -24.99 65.54 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.154 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -52.37 173.16 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.287 -0.883 . . . . 0.0 110.41 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.57 -18.17 28.63 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.232 -0.917 . . . . 0.0 111.062 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' SER . . . . . 0.432 ' O ' ' CD1' ' A' ' 816' ' ' LEU . 64.6 m -103.86 36.42 2.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.932 -1.105 . . . . 0.0 110.786 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 739' ' ' VAL . . . -119.06 -9.66 9.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.0 111.187 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' TRP . . . . . 0.577 ' N ' ' CD ' ' A' ' 747' ' ' PRO . 41.9 p-90 -62.37 -26.08 2.12 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.06 -1.025 . . . . 0.0 113.444 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 746' ' ' TRP . 6.8 Cg_endo -82.36 -7.5 11.82 Favored 'Trans proline' 0 C--N 1.324 -0.716 0 CA-C-N 119.231 0.761 . . . . 0.0 110.846 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -112.45 -13.14 13.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.024 -1.048 . . . . 0.0 111.15 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 745' ' ' ALA . 56.7 mmm -56.03 -65.52 0.59 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.915 -1.116 . . . . 0.0 109.932 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -88.38 130.61 45.09 Favored Pre-proline 0 C--N 1.304 -1.371 0 O-C-N 121.413 -0.805 . . . . 0.0 109.9 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . 0.413 ' CD ' ' HD2' ' A' ' 771' ' ' LYS . 18.3 Cg_endo -64.14 126.1 16.49 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.45 1.237 . . . . 0.0 110.391 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . 0.413 HG13 ' CR1' ' A' ' 201' ' ' NP1 . 97.4 t -52.33 153.29 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 0.0 110.234 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 756' ' ' GLU . 0.0 OUTLIER -70.09 175.49 4.46 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.188 -0.945 . . . . 0.0 110.31 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -76.96 -32.88 57.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.232 -0.918 . . . . 0.0 110.836 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 52.0 m -109.92 -21.4 12.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.09 -1.006 . . . . 0.0 110.63 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . 0.449 ' HG2' ' CR1' ' A' ' 201' ' ' NP1 . 57.0 tt0 -52.48 -21.82 4.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.161 -0.962 . . . . 0.0 110.407 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . 0.447 ' HA ' ' CM ' ' A' ' 201' ' ' NP1 . . . -97.87 160.59 28.13 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.144 -0.972 . . . . 0.0 110.853 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -67.25 -21.2 48.32 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 O-C-N 123.718 1.378 . . . . 0.0 110.581 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . 173.88 75.45 0.05 OUTLIER Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' TYR . . . . . 0.434 ' CE1' HG13 ' A' ' 764' ' ' ILE . 2.0 t80 -92.54 -20.39 20.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -1.133 . . . . 0.0 110.486 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -84.69 10.43 11.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 0.0 111.04 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -139.46 -60.87 0.55 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.016 -1.052 . . . . 0.0 109.923 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 75.3 t -57.33 -21.22 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' ILE . . . . . 0.44 HD11 HG22 ' A' ' 764' ' ' ILE . 49.9 mm -125.81 100.85 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 110.339 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -78.54 -17.04 56.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 0.0 110.713 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -129.43 76.44 78.76 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.088 -1.008 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.91 101.73 0.16 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.673 1.354 . . . . 0.0 110.451 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' MET . . . . . . . . . . . . . 1.1 ttm -127.77 128.15 44.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 110.101 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -132.06 -166.27 1.71 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 0.0 110.048 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 33.3 mt -79.72 -12.42 59.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.156 -0.965 . . . . 0.0 110.729 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' LYS . . . . . 0.413 ' HD2' ' CD ' ' A' ' 751' ' ' PRO . 2.8 tttt -67.41 -14.66 63.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.14 -0.975 . . . . 0.0 111.085 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 33.6 p -114.23 -28.71 7.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 110.814 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' MET . . . . . 0.452 ' SD ' ' CE1' ' A' ' 788' ' ' PHE . 1.5 mmt -52.67 -76.2 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.122 -0.986 . . . . 0.0 110.766 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' SER . . . . . . . . . . . . . 20.3 t -50.63 -47.33 58.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.2 -0.937 . . . . 0.0 110.838 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -51.26 -45.28 62.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.174 -0.954 . . . . 0.0 110.246 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -71.07 -38.35 72.47 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.288 -0.883 . . . . 0.0 109.758 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -34.02 76.64 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.349 -0.845 . . . . 0.0 109.974 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' LYS . . . . . 0.462 ' CA ' ' CE ' ' A' ' 778' ' ' LYS . 0.0 OUTLIER -48.77 -40.06 27.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.227 -0.921 . . . . 0.0 109.434 177.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 781' ' ' TYR . 1.4 m-80 -105.77 47.41 0.88 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.518 -0.738 . . . . 0.0 109.438 177.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . 0.435 ' O ' ' CD ' ' A' ' 780' ' ' ARG . 0.0 OUTLIER 31.67 34.79 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.47 0 CA-C-O 121.338 0.59 . . . . 0.0 112.346 -178.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 779' ' ' ASN . 3.6 t80 -69.78 -21.36 63.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.234 -0.916 . . . . 0.0 110.14 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -114.96 104.88 12.35 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.217 -0.927 . . . . 0.0 109.583 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 12.6 p -141.58 53.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.247 -0.908 . . . . 0.0 110.443 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 787' ' ' LEU . 0.9 OUTLIER -153.61 157.93 40.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.419 -0.8 . . . . 0.0 110.141 179.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -65.48 -78.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.295 -0.878 . . . . 0.0 110.677 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.67 -23.74 7.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.858 . . . . 0.0 110.896 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 784' ' ' SER . 32.0 tp -64.79 -67.88 0.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.087 -1.008 . . . . 0.0 110.613 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' PHE . . . . . 0.452 ' CE1' ' SD ' ' A' ' 773' ' ' MET . 32.4 t80 -62.16 -46.21 89.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.997 -1.064 . . . . 0.0 110.253 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' MET . . . . . 0.422 ' CE ' ' HB3' ' A' ' 829' ' ' LEU . 0.0 OUTLIER -50.05 -59.19 4.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.22 -0.925 . . . . 0.0 110.121 179.081 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 794' ' ' ARG . . . -48.7 -49.79 36.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 110.577 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -50.62 -71.1 0.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.162 -0.962 . . . . 0.0 110.818 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' LEU . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 796' ' ' PHE . 0.2 OUTLIER -52.4 -48.7 65.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.914 -1.116 . . . . 0.0 109.99 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' GLN . . . . . 0.436 ' OE1' ' CZ ' ' A' ' 821' ' ' PHE . 0.9 OUTLIER -56.19 -27.28 53.98 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.268 -0.895 . . . . 0.0 109.312 178.225 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . 0.438 ' HA ' ' CG2' ' A' ' 797' ' ' THR . 50.8 ttm-85 -72.04 -34.91 69.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.335 -0.853 . . . . 0.0 109.304 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 88.1 t -63.79 -47.26 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.607 -0.683 . . . . 0.0 110.382 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 792' ' ' LEU . 20.4 m-85 -67.13 -51.76 49.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.984 . . . . 0.0 110.537 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' THR . . . . . 0.438 ' CG2' ' HA ' ' A' ' 794' ' ' ARG . 9.0 t -61.99 -40.8 96.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.995 -1.065 . . . . 0.0 110.068 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 794' ' ' ARG . 49.0 t-20 -58.93 -50.82 72.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.173 -0.954 . . . . 0.0 109.617 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' CYS . . . . . . . . . . . . . 41.6 t -54.19 -50.97 65.82 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.485 -0.76 . . . . 0.0 109.841 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . 0.52 ' CG ' ' CE2' ' A' ' 810' ' ' TYR . 1.1 ttmt -65.86 -20.14 66.13 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.467 -0.77 . . . . 0.0 110.16 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 764' ' ' ILE . 2.2 tp10 -69.31 -59.4 3.03 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.285 -0.885 . . . . 0.0 110.557 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.48 ' OH ' ' CD2' ' A' ' 809' ' ' TYR . 0.1 OUTLIER -76.32 -44.41 36.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 110.031 -179.541 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' ASN . . . . . 0.438 ' N ' ' CG ' ' A' ' 802' ' ' TYR . 2.7 t-20 -69.13 110.72 6.66 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 111.12 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 806' ' ' GLU . 19.4 Cg_endo -62.44 164.21 18.56 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.443 1.233 . . . . 0.0 109.794 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.75 64.27 0.56 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.682 1.359 . . . . 0.0 110.84 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 804' ' ' PRO . 0.2 OUTLIER -176.14 42.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.105 -0.997 . . . . 0.0 110.721 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.09 167.4 26.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.114 -0.991 . . . . 0.0 110.599 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.49 -33.19 73.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.457 -0.777 . . . . 0.0 110.475 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' TYR . . . . . 0.59 ' CE1' ' NO2' ' A' ' 201' ' ' NP1 . 0.4 OUTLIER -53.63 -46.73 70.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 110.566 -179.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.52 ' CE2' ' CG ' ' A' ' 800' ' ' LYS . 10.8 t80 -64.44 -48.81 73.89 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.101 -0.999 . . . . 0.0 109.287 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -46.9 -72.66 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.661 -0.649 . . . . 0.0 110.785 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 14.9 p -50.68 -37.92 43.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 0.0 110.805 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.02 76.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.93 -1.107 . . . . 0.0 109.831 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -70.14 -36.96 75.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.332 -0.855 . . . . 0.0 109.842 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' ILE . . . . . . . . . . . . . 58.8 mt -66.74 -60.62 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.434 -0.791 . . . . 0.0 110.317 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' LEU . . . . . 0.501 ' HB3' ' CE1' ' A' ' 796' ' ' PHE . 0.4 OUTLIER -54.11 -48.34 70.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 110.059 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -52.97 -39.02 62.66 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.111 -0.993 . . . . 0.0 110.016 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -57.79 10.46 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.286 -0.884 . . . . 0.0 109.437 177.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -54.39 -54.49 39.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.612 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 824' ' ' ILE . 37.0 t80 -46.84 -59.93 2.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.57 -0.706 . . . . 0.0 110.672 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' PHE . . . . . 0.436 ' CZ ' ' OE1' ' A' ' 793' ' ' GLN . 2.9 m-85 -48.53 -56.26 8.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.851 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 45.2 t -56.11 -37.37 69.33 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.044 -1.035 . . . . 0.0 109.829 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -66.38 -53.81 31.64 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.329 -0.857 . . . . 0.0 110.101 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . 0.44 ' CD1' HG12 ' A' ' 830' ' ' ILE . 30.6 pt -60.99 -42.4 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.12 -0.988 . . . . 0.0 109.834 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.432 ' HG3' ' CD1' ' A' ' 830' ' ' ILE . 12.6 ttmt -54.2 -37.51 64.62 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.033 -1.042 . . . . 0.0 109.732 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.64 -53.12 11.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.395 -0.816 . . . . 0.0 110.344 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ALA . . . . . . . . . . . . . . . -57.96 -19.77 32.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.399 -0.813 . . . . 0.0 110.544 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' GLY . . . . . 0.43 ' HA2' ' CD ' ' A' ' 720' ' ' LYS . . . 90.2 40.27 5.83 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.181 -1.567 . . . . 0.0 109.181 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.427 ' HB2' ' HB ' ' A' ' 824' ' ' ILE . 42.9 mt -106.51 -121.06 0.23 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.352 -1.087 . . . . 0.0 109.759 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . 0.44 HG12 ' CD1' ' A' ' 824' ' ' ILE . 75.6 mt 53.7 100.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.602 -1.311 . . . . 0.0 110.755 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -72.14 -20.97 61.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 110.21 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.535 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' NP1 . . . . . 0.59 ' NO2' ' CE1' ' A' ' 809' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.25 110.8 13.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.274 -1.133 . . . . 0.0 110.294 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 717' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 58.15 159.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.309 -0.87 . . . . 0.0 110.494 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 4.6 mmt 50.85 37.25 16.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.209 -0.932 . . . . 0.0 110.602 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 719' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 721' ' ' GLU . 4.5 m -77.87 -44.01 28.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.213 -0.929 . . . . 0.0 110.434 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 720' ' ' LYS . . . . . 0.431 ' CD ' ' HA2' ' A' ' 828' ' ' GLY . 1.7 tppp? -58.03 87.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.299 -0.875 . . . . 0.0 110.447 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 721' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 719' ' ' SER . 6.1 tt0 -175.74 128.39 0.38 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.217 -0.927 . . . . 0.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 722' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 724' ' ' ASP . 48.1 Cg_endo -72.08 -42.51 1.49 Allowed 'Trans proline' 0 C--N 1.315 -1.214 0 O-C-N 123.443 1.233 . . . . 0.0 110.037 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 723' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 54.83 -87.07 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.58 -0.7 . . . . 0.0 111.179 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 722' ' ' PRO . 0.5 OUTLIER -51.47 122.59 20.32 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.977 -1.077 . . . . 0.0 110.711 -179.008 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -68.24 -10.55 29.27 Favored 'Trans proline' 0 C--N 1.315 -1.207 0 O-C-N 123.475 1.25 . . . . 0.0 110.683 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -89.14 -34.67 16.63 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.026 -1.046 . . . . 0.0 109.044 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -70.85 -42.83 69.62 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.573 0.702 . . . . 0.0 109.58 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 728' ' ' LEU . . . . . 0.551 HD23 ' HA ' ' A' ' 783' ' ' VAL . 14.4 tp -63.71 -33.79 76.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.54 -0.725 . . . . 0.0 110.689 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -50.27 -45.85 54.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.001 -1.062 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 730' ' ' SER . . . . . . . . . . . . . 4.9 p -85.23 -41.43 15.61 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.354 -0.841 . . . . 0.0 110.064 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 731' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 728' ' ' LEU . 20.8 m -51.9 -38.31 55.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.11 -0.994 . . . . 0.0 109.306 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 732' ' ' LEU . . . . . 0.645 HD22 ' CG ' ' A' ' 788' ' ' PHE . 60.2 mt -74.46 -44.66 50.63 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 733' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 777' ' ' LEU . 0.0 OUTLIER -51.85 -56.36 14.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.545 -0.722 . . . . 0.0 110.598 178.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -46.9 59.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 110.612 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 735' ' ' ILE . . . . . 0.435 HD11 ' CD1' ' A' ' 829' ' ' LEU . 92.1 mt -59.28 -60.35 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.29 -0.881 . . . . 0.0 110.271 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 736' ' ' LEU . 0.7 OUTLIER -53.19 -35.14 59.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.215 -0.928 . . . . 0.0 110.047 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 737' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -43.22 75.1 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.365 -0.834 . . . . 0.0 110.115 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.64 -47.96 61.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 110.134 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 739' ' ' VAL . . . . . 1.034 HG13 HD21 ' A' ' 816' ' ' LEU . 83.8 t -51.78 -46.51 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.182 -0.949 . . . . 0.0 109.809 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 740' ' ' LYS . . . . . 0.406 ' HD3' ' HE1' ' A' ' 749' ' ' MET . 31.4 ttpt -56.88 -51.08 70.45 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.366 -0.834 . . . . 0.0 109.843 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 5.3 t -67.61 -24.99 65.54 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.154 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' HIS . . . . . 0.418 ' HE1' HG22 ' A' ' 815' ' ' ILE . 6.3 t-80 -52.37 173.16 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.287 -0.883 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.57 -18.17 28.63 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.232 -0.917 . . . . 0.0 111.062 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 744' ' ' SER . . . . . 0.897 ' O ' HD12 ' A' ' 816' ' ' LEU . 64.6 m -103.86 36.42 2.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.932 -1.105 . . . . 0.0 110.786 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 745' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 739' ' ' VAL . . . -119.06 -9.66 9.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.0 111.187 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 746' ' ' TRP . . . . . 0.577 ' N ' ' CD ' ' A' ' 747' ' ' PRO . 41.9 p-90 -62.37 -26.08 2.12 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.06 -1.025 . . . . 0.0 113.444 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 747' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 746' ' ' TRP . 6.8 Cg_endo -82.36 -7.5 11.82 Favored 'Trans proline' 0 C--N 1.324 -0.716 0 CA-C-N 119.231 0.761 . . . . 0.0 110.846 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 748' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -112.45 -13.14 13.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.024 -1.048 . . . . 0.0 111.15 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 749' ' ' MET . . . . . 0.49 ' HG2' ' HA ' ' A' ' 746' ' ' TRP . 56.7 mmm -56.03 -65.52 0.59 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.915 -1.116 . . . . 0.0 109.932 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 750' ' ' GLU . . . . . 0.406 ' O ' ' HA2' ' A' ' 201' ' ' NP1 . 14.3 tt0 -88.38 130.61 45.09 Favored Pre-proline 0 C--N 1.304 -1.371 0 O-C-N 121.413 -0.805 . . . . 0.0 109.9 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 751' ' ' PRO . . . . . 0.427 ' CD ' ' HD2' ' A' ' 771' ' ' LYS . 18.3 Cg_endo -64.14 126.1 16.49 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.45 1.237 . . . . 0.0 110.391 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 752' ' ' VAL . . . . . 0.641 HG13 ' CR1' ' A' ' 201' ' ' NP1 . 97.4 t -52.33 153.29 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 0.0 110.234 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 753' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 756' ' ' GLU . 0.0 OUTLIER -70.09 175.49 4.46 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.188 -0.945 . . . . 0.0 110.31 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 754' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -76.96 -32.88 57.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.232 -0.918 . . . . 0.0 110.836 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 52.0 m -109.92 -21.4 12.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.09 -1.006 . . . . 0.0 110.63 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.458 ' HB2' ' CB ' ' A' ' 753' ' ' LYS . 57.0 tt0 -52.48 -21.82 4.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.161 -0.962 . . . . 0.0 110.407 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.513 ' HA ' ' HM2' ' A' ' 201' ' ' NP1 . . . -97.87 160.59 28.13 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.144 -0.972 . . . . 0.0 110.853 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -67.25 -21.2 48.32 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 O-C-N 123.718 1.378 . . . . 0.0 110.581 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . 173.88 75.45 0.05 OUTLIER Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 760' ' ' TYR . . . . . 0.442 ' CE1' HG13 ' A' ' 764' ' ' ILE . 2.0 t80 -92.54 -20.39 20.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -1.133 . . . . 0.0 110.486 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 761' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -84.69 10.43 11.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 0.0 111.04 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -139.46 -60.87 0.55 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.016 -1.052 . . . . 0.0 109.923 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' VAL . . . . . 0.417 ' O ' HD13 ' A' ' 764' ' ' ILE . 75.3 t -57.33 -21.22 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 764' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 801' ' ' GLU . 49.9 mm -125.81 100.85 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 110.339 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -78.54 -17.04 56.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 0.0 110.713 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -129.43 76.44 78.76 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.088 -1.008 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 767' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.91 101.73 0.16 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.673 1.354 . . . . 0.0 110.451 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 768' ' ' MET . . . . . 0.52 ' O ' HG22 ' A' ' 795' ' ' VAL . 1.1 ttm -127.77 128.15 44.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 110.101 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -132.06 -166.27 1.71 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 0.0 110.048 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.559 ' CD2' HD21 ' A' ' 736' ' ' LEU . 33.3 mt -79.72 -12.42 59.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.156 -0.965 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 771' ' ' LYS . . . . . 0.427 ' HD2' ' CD ' ' A' ' 751' ' ' PRO . 2.8 tttt -67.41 -14.66 63.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.14 -0.975 . . . . 0.0 111.085 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 33.6 p -114.23 -28.71 7.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 110.814 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 773' ' ' MET . . . . . 0.595 ' HE3' HD12 ' A' ' 792' ' ' LEU . 1.5 mmt -52.67 -76.2 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.122 -0.986 . . . . 0.0 110.766 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 774' ' ' SER . . . . . . . . . . . . . 20.3 t -50.63 -47.33 58.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.2 -0.937 . . . . 0.0 110.838 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -51.26 -45.28 62.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.174 -0.954 . . . . 0.0 110.246 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 776' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' A' ' 782' ' ' TYR . 2.4 mpt_? -71.07 -38.35 72.47 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.288 -0.883 . . . . 0.0 109.758 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 777' ' ' LEU . . . . . 0.405 ' CD2' ' HG3' ' A' ' 733' ' ' LYS . 0.3 OUTLIER -62.99 -34.02 76.64 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.349 -0.845 . . . . 0.0 109.974 179.059 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 778' ' ' LYS . . . . . 0.462 ' CA ' ' CE ' ' A' ' 778' ' ' LYS . 0.0 OUTLIER -48.77 -40.06 27.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.227 -0.921 . . . . 0.0 109.434 177.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 779' ' ' ASN . . . . . 0.431 ' C ' ' HG3' ' A' ' 780' ' ' ARG . 1.4 m-80 -105.77 47.41 0.88 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.518 -0.738 . . . . 0.0 109.438 177.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 780' ' ' ARG . . . . . 0.435 ' O ' ' CD ' ' A' ' 780' ' ' ARG . 0.0 OUTLIER 31.67 34.79 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.47 0 CA-C-O 121.338 0.59 . . . . 0.0 112.346 -178.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 781' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 779' ' ' ASN . 3.6 t80 -69.78 -21.36 63.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.234 -0.916 . . . . 0.0 110.14 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 782' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 776' ' ' ARG . 11.9 m-85 -114.96 104.88 12.35 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.217 -0.927 . . . . 0.0 109.583 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 783' ' ' VAL . . . . . 0.551 ' HA ' HD23 ' A' ' 728' ' ' LEU . 12.6 p -141.58 53.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.247 -0.908 . . . . 0.0 110.443 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 784' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 787' ' ' LEU . 0.9 OUTLIER -153.61 157.93 40.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.419 -0.8 . . . . 0.0 110.141 179.42 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -65.48 -78.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.295 -0.878 . . . . 0.0 110.677 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.67 -23.74 7.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.858 . . . . 0.0 110.896 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.457 ' CB ' ' HB2' ' A' ' 784' ' ' SER . 32.0 tp -64.79 -67.88 0.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.087 -1.008 . . . . 0.0 110.613 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 788' ' ' PHE . . . . . 0.645 ' CG ' HD22 ' A' ' 732' ' ' LEU . 32.4 t80 -62.16 -46.21 89.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.997 -1.064 . . . . 0.0 110.253 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 789' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 793' ' ' GLN . 0.0 OUTLIER -50.05 -59.19 4.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.22 -0.925 . . . . 0.0 110.121 179.081 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 790' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 794' ' ' ARG . . . -48.7 -49.79 36.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 110.577 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 791' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 794' ' ' ARG . 68.5 m-20 -50.62 -71.1 0.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.162 -0.962 . . . . 0.0 110.818 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 792' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 820' ' ' PHE . 0.2 OUTLIER -52.4 -48.7 65.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.914 -1.116 . . . . 0.0 109.99 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 793' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 797' ' ' THR . 0.9 OUTLIER -56.19 -27.28 53.98 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.268 -0.895 . . . . 0.0 109.312 178.225 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 794' ' ' ARG . . . . . 0.478 ' HA ' ' CG2' ' A' ' 797' ' ' THR . 50.8 ttm-85 -72.04 -34.91 69.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.335 -0.853 . . . . 0.0 109.304 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 795' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 768' ' ' MET . 88.1 t -63.79 -47.26 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.607 -0.683 . . . . 0.0 110.382 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 816' ' ' LEU . 20.4 m-85 -67.13 -51.76 49.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.984 . . . . 0.0 110.537 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 797' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 793' ' ' GLN . 9.0 t -61.99 -40.8 96.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.995 -1.065 . . . . 0.0 110.068 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 798' ' ' ASN . . . . . 0.553 HD21 HG21 ' A' ' 764' ' ' ILE . 49.0 t-20 -58.93 -50.82 72.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.173 -0.954 . . . . 0.0 109.617 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 799' ' ' CYS . . . . . . . . . . . . . 41.6 t -54.19 -50.97 65.82 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.485 -0.76 . . . . 0.0 109.841 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' LYS . . . . . 0.52 ' CG ' ' CE2' ' A' ' 810' ' ' TYR . 1.1 ttmt -65.86 -20.14 66.13 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.467 -0.77 . . . . 0.0 110.16 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.843 ' HB3' HD11 ' A' ' 764' ' ' ILE . 2.2 tp10 -69.31 -59.4 3.03 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.285 -0.885 . . . . 0.0 110.557 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 802' ' ' TYR . 0.1 OUTLIER -76.32 -44.41 36.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 110.031 -179.541 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 803' ' ' ASN . . . . . 0.461 ' HA ' ' HD2' ' A' ' 804' ' ' PRO . 2.7 t-20 -69.13 110.72 6.66 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 111.12 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 804' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' A' ' 803' ' ' ASN . 19.4 Cg_endo -62.44 164.21 18.56 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.443 1.233 . . . . 0.0 109.794 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 805' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.75 64.27 0.56 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.682 1.359 . . . . 0.0 110.84 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 804' ' ' PRO . 0.2 OUTLIER -176.14 42.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.105 -0.997 . . . . 0.0 110.721 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.09 167.4 26.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.114 -0.991 . . . . 0.0 110.599 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.49 -33.19 73.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.457 -0.777 . . . . 0.0 110.475 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 809' ' ' TYR . . . . . 0.59 ' CE1' ' NO2' ' A' ' 201' ' ' NP1 . 0.4 OUTLIER -53.63 -46.73 70.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 110.566 -179.284 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.52 ' CE2' ' CG ' ' A' ' 800' ' ' LYS . 10.8 t80 -64.44 -48.81 73.89 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.101 -0.999 . . . . 0.0 109.287 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -46.9 -72.66 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.661 -0.649 . . . . 0.0 110.785 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' CYS . . . . . 0.783 ' HA ' HD12 ' A' ' 815' ' ' ILE . 14.9 p -50.68 -37.92 43.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 0.0 110.805 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 810' ' ' TYR . . . -55.78 -43.02 76.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.93 -1.107 . . . . 0.0 109.831 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 814' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -70.14 -36.96 75.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.332 -0.855 . . . . 0.0 109.842 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 815' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 812' ' ' CYS . 58.8 mt -66.74 -60.62 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.434 -0.791 . . . . 0.0 110.317 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 816' ' ' LEU . . . . . 1.034 HD21 HG13 ' A' ' 739' ' ' VAL . 0.4 OUTLIER -54.11 -48.34 70.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 110.059 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 817' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -52.97 -39.02 62.66 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.111 -0.993 . . . . 0.0 110.016 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -57.79 10.46 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.286 -0.884 . . . . 0.0 109.437 177.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 819' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -54.39 -54.49 39.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.612 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' PHE . . . . . 0.699 ' CE1' HD13 ' A' ' 792' ' ' LEU . 37.0 t80 -46.84 -59.93 2.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.57 -0.706 . . . . 0.0 110.672 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 821' ' ' PHE . . . . . 0.478 ' HA ' HD11 ' A' ' 824' ' ' ILE . 2.9 m-85 -48.53 -56.26 8.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.851 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 45.2 t -56.11 -37.37 69.33 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.044 -1.035 . . . . 0.0 109.829 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -66.38 -53.81 31.64 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.329 -0.857 . . . . 0.0 110.101 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.577 HD12 HG12 ' A' ' 830' ' ' ILE . 30.6 pt -60.99 -42.4 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.12 -0.988 . . . . 0.0 109.834 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 824' ' ' ILE . 12.6 ttmt -54.2 -37.51 64.62 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.033 -1.042 . . . . 0.0 109.732 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.64 -53.12 11.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.395 -0.816 . . . . 0.0 110.344 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ALA . . . . . 0.433 ' HB1' ' CG2' ' A' ' 731' ' ' THR . . . -57.96 -19.77 32.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.399 -0.813 . . . . 0.0 110.544 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 828' ' ' GLY . . . . . 0.431 ' HA2' ' CD ' ' A' ' 720' ' ' LYS . . . 90.2 40.27 5.83 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.181 -1.567 . . . . 0.0 109.181 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.448 ' HB2' ' HB ' ' A' ' 824' ' ' ILE . 42.9 mt -106.51 -121.06 0.23 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.352 -1.087 . . . . 0.0 109.759 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.577 HG12 HD12 ' A' ' 824' ' ' ILE . 75.6 mt 53.7 100.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.602 -1.311 . . . . 0.0 110.755 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -72.14 -20.97 61.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 110.21 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.535 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' NP1 . . . . . 0.641 ' CR1' HG13 ' A' ' 752' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.25 110.8 13.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.274 -1.133 . . . . 0.0 110.294 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 58.15 159.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.309 -0.87 . . . . 0.0 110.494 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 4.6 mmt 50.85 37.25 16.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.209 -0.932 . . . . 0.0 110.602 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 721' ' ' GLU . 4.5 m -77.87 -44.01 28.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.213 -0.929 . . . . 0.0 110.434 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . 0.431 ' CD ' ' HA2' ' A' ' 828' ' ' GLY . 1.7 tppp? -58.03 87.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.299 -0.875 . . . . 0.0 110.447 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 719' ' ' SER . 6.1 tt0 -175.74 128.39 0.38 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.217 -0.927 . . . . 0.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 724' ' ' ASP . 48.1 Cg_endo -72.08 -42.51 1.49 Allowed 'Trans proline' 0 C--N 1.315 -1.214 0 O-C-N 123.443 1.233 . . . . 0.0 110.037 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 54.83 -87.07 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.58 -0.7 . . . . 0.0 111.179 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 722' ' ' PRO . 0.5 OUTLIER -51.47 122.59 20.32 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.977 -1.077 . . . . 0.0 110.711 -179.008 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -68.24 -10.55 29.27 Favored 'Trans proline' 0 C--N 1.315 -1.207 0 O-C-N 123.475 1.25 . . . . 0.0 110.683 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -89.14 -34.67 16.63 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.026 -1.046 . . . . 0.0 109.044 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -70.85 -42.83 69.62 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.573 0.702 . . . . 0.0 109.58 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' LEU . . . . . 0.551 HD23 ' HA ' ' A' ' 783' ' ' VAL . 14.4 tp -63.71 -33.79 76.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.54 -0.725 . . . . 0.0 110.689 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -50.27 -45.85 54.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.001 -1.062 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' SER . . . . . . . . . . . . . 4.9 p -85.23 -41.43 15.61 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.354 -0.841 . . . . 0.0 110.064 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 728' ' ' LEU . 20.8 m -51.9 -38.31 55.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.11 -0.994 . . . . 0.0 109.306 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' LEU . . . . . 0.645 HD22 ' CG ' ' A' ' 788' ' ' PHE . 60.2 mt -74.46 -44.66 50.63 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 777' ' ' LEU . 0.0 OUTLIER -51.85 -56.36 14.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.545 -0.722 . . . . 0.0 110.598 178.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -46.9 59.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 110.612 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 735' ' ' ILE . . . . . 0.435 HD11 ' CD1' ' A' ' 829' ' ' LEU . 92.1 mt -59.28 -60.35 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.29 -0.881 . . . . 0.0 110.271 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.771 HD13 ' O ' ' A' ' 736' ' ' LEU . 0.7 OUTLIER -53.19 -35.14 59.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.215 -0.928 . . . . 0.0 110.047 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -43.22 75.1 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.365 -0.834 . . . . 0.0 110.115 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.64 -47.96 61.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 110.134 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' VAL . . . . . 1.034 HG13 HD21 ' A' ' 816' ' ' LEU . 83.8 t -51.78 -46.51 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.182 -0.949 . . . . 0.0 109.809 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . 0.406 ' HD3' ' HE1' ' A' ' 749' ' ' MET . 31.4 ttpt -56.88 -51.08 70.45 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.366 -0.834 . . . . 0.0 109.843 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 5.3 t -67.61 -24.99 65.54 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.154 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' HIS . . . . . 0.418 ' HE1' HG22 ' A' ' 815' ' ' ILE . 6.3 t-80 -52.37 173.16 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.287 -0.883 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.57 -18.17 28.63 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.232 -0.917 . . . . 0.0 111.062 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . 0.897 ' O ' HD12 ' A' ' 816' ' ' LEU . 64.6 m -103.86 36.42 2.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.932 -1.105 . . . . 0.0 110.786 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 739' ' ' VAL . . . -119.06 -9.66 9.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.0 111.187 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' TRP . . . . . 0.577 ' N ' ' CD ' ' A' ' 747' ' ' PRO . 41.9 p-90 -62.37 -26.08 2.12 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.06 -1.025 . . . . 0.0 113.444 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 746' ' ' TRP . 6.8 Cg_endo -82.36 -7.5 11.82 Favored 'Trans proline' 0 C--N 1.324 -0.716 0 CA-C-N 119.231 0.761 . . . . 0.0 110.846 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -112.45 -13.14 13.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.024 -1.048 . . . . 0.0 111.15 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' MET . . . . . 0.49 ' HG2' ' HA ' ' A' ' 746' ' ' TRP . 56.7 mmm -56.03 -65.52 0.59 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.915 -1.116 . . . . 0.0 109.932 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . 0.406 ' O ' ' HA2' ' A' ' 201' ' ' NP1 . 14.3 tt0 -88.38 130.61 45.09 Favored Pre-proline 0 C--N 1.304 -1.371 0 O-C-N 121.413 -0.805 . . . . 0.0 109.9 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . 0.427 ' CD ' ' HD2' ' A' ' 771' ' ' LYS . 18.3 Cg_endo -64.14 126.1 16.49 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.45 1.237 . . . . 0.0 110.391 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . 0.641 HG13 ' CR1' ' A' ' 201' ' ' NP1 . 97.4 t -52.33 153.29 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 0.0 110.234 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 756' ' ' GLU . 0.0 OUTLIER -70.09 175.49 4.46 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.188 -0.945 . . . . 0.0 110.31 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -76.96 -32.88 57.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.232 -0.918 . . . . 0.0 110.836 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 52.0 m -109.92 -21.4 12.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.09 -1.006 . . . . 0.0 110.63 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.458 ' HB2' ' CB ' ' A' ' 753' ' ' LYS . 57.0 tt0 -52.48 -21.82 4.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.161 -0.962 . . . . 0.0 110.407 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.513 ' HA ' ' HM2' ' A' ' 201' ' ' NP1 . . . -97.87 160.59 28.13 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.144 -0.972 . . . . 0.0 110.853 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -67.25 -21.2 48.32 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 O-C-N 123.718 1.378 . . . . 0.0 110.581 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . 173.88 75.45 0.05 OUTLIER Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' TYR . . . . . 0.442 ' CE1' HG13 ' A' ' 764' ' ' ILE . 2.0 t80 -92.54 -20.39 20.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -1.133 . . . . 0.0 110.486 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -84.69 10.43 11.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 0.0 111.04 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -139.46 -60.87 0.55 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.016 -1.052 . . . . 0.0 109.923 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . 0.417 ' O ' HD13 ' A' ' 764' ' ' ILE . 75.3 t -57.33 -21.22 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 801' ' ' GLU . 49.9 mm -125.81 100.85 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 110.339 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -78.54 -17.04 56.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 0.0 110.713 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -129.43 76.44 78.76 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.088 -1.008 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.91 101.73 0.16 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.673 1.354 . . . . 0.0 110.451 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' MET . . . . . 0.52 ' O ' HG22 ' A' ' 795' ' ' VAL . 1.1 ttm -127.77 128.15 44.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 110.101 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -132.06 -166.27 1.71 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 0.0 110.048 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.559 ' CD2' HD21 ' A' ' 736' ' ' LEU . 33.3 mt -79.72 -12.42 59.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.156 -0.965 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' LYS . . . . . 0.427 ' HD2' ' CD ' ' A' ' 751' ' ' PRO . 2.8 tttt -67.41 -14.66 63.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.14 -0.975 . . . . 0.0 111.085 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 33.6 p -114.23 -28.71 7.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 110.814 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' MET . . . . . 0.595 ' HE3' HD12 ' A' ' 792' ' ' LEU . 1.5 mmt -52.67 -76.2 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.122 -0.986 . . . . 0.0 110.766 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' SER . . . . . . . . . . . . . 20.3 t -50.63 -47.33 58.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.2 -0.937 . . . . 0.0 110.838 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -51.26 -45.28 62.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.174 -0.954 . . . . 0.0 110.246 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' A' ' 782' ' ' TYR . 2.4 mpt_? -71.07 -38.35 72.47 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.288 -0.883 . . . . 0.0 109.758 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' LEU . . . . . 0.405 ' CD2' ' HG3' ' A' ' 733' ' ' LYS . 0.3 OUTLIER -62.99 -34.02 76.64 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.349 -0.845 . . . . 0.0 109.974 179.059 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' LYS . . . . . 0.462 ' CA ' ' CE ' ' A' ' 778' ' ' LYS . 0.0 OUTLIER -48.77 -40.06 27.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.227 -0.921 . . . . 0.0 109.434 177.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . 0.431 ' C ' ' HG3' ' A' ' 780' ' ' ARG . 1.4 m-80 -105.77 47.41 0.88 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.518 -0.738 . . . . 0.0 109.438 177.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . 0.435 ' O ' ' CD ' ' A' ' 780' ' ' ARG . 0.0 OUTLIER 31.67 34.79 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.47 0 CA-C-O 121.338 0.59 . . . . 0.0 112.346 -178.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 779' ' ' ASN . 3.6 t80 -69.78 -21.36 63.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.234 -0.916 . . . . 0.0 110.14 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 776' ' ' ARG . 11.9 m-85 -114.96 104.88 12.35 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.217 -0.927 . . . . 0.0 109.583 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . 0.551 ' HA ' HD23 ' A' ' 728' ' ' LEU . 12.6 p -141.58 53.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.247 -0.908 . . . . 0.0 110.443 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 787' ' ' LEU . 0.9 OUTLIER -153.61 157.93 40.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.419 -0.8 . . . . 0.0 110.141 179.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -65.48 -78.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.295 -0.878 . . . . 0.0 110.677 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.67 -23.74 7.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.858 . . . . 0.0 110.896 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.457 ' CB ' ' HB2' ' A' ' 784' ' ' SER . 32.0 tp -64.79 -67.88 0.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.087 -1.008 . . . . 0.0 110.613 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' PHE . . . . . 0.645 ' CG ' HD22 ' A' ' 732' ' ' LEU . 32.4 t80 -62.16 -46.21 89.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.997 -1.064 . . . . 0.0 110.253 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 793' ' ' GLN . 0.0 OUTLIER -50.05 -59.19 4.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.22 -0.925 . . . . 0.0 110.121 179.081 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 794' ' ' ARG . . . -48.7 -49.79 36.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 110.577 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 794' ' ' ARG . 68.5 m-20 -50.62 -71.1 0.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.162 -0.962 . . . . 0.0 110.818 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 820' ' ' PHE . 0.2 OUTLIER -52.4 -48.7 65.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.914 -1.116 . . . . 0.0 109.99 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 797' ' ' THR . 0.9 OUTLIER -56.19 -27.28 53.98 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.268 -0.895 . . . . 0.0 109.312 178.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . 0.478 ' HA ' ' CG2' ' A' ' 797' ' ' THR . 50.8 ttm-85 -72.04 -34.91 69.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.335 -0.853 . . . . 0.0 109.304 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 768' ' ' MET . 88.1 t -63.79 -47.26 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.607 -0.683 . . . . 0.0 110.382 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 816' ' ' LEU . 20.4 m-85 -67.13 -51.76 49.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.984 . . . . 0.0 110.537 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 793' ' ' GLN . 9.0 t -61.99 -40.8 96.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.995 -1.065 . . . . 0.0 110.068 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . 0.553 HD21 HG21 ' A' ' 764' ' ' ILE . 49.0 t-20 -58.93 -50.82 72.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.173 -0.954 . . . . 0.0 109.617 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' CYS . . . . . . . . . . . . . 41.6 t -54.19 -50.97 65.82 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.485 -0.76 . . . . 0.0 109.841 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . 0.52 ' CG ' ' CE2' ' A' ' 810' ' ' TYR . 1.1 ttmt -65.86 -20.14 66.13 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.467 -0.77 . . . . 0.0 110.16 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.843 ' HB3' HD11 ' A' ' 764' ' ' ILE . 2.2 tp10 -69.31 -59.4 3.03 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.285 -0.885 . . . . 0.0 110.557 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 802' ' ' TYR . 0.1 OUTLIER -76.32 -44.41 36.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 110.031 -179.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' ASN . . . . . 0.461 ' HA ' ' HD2' ' A' ' 804' ' ' PRO . 2.7 t-20 -69.13 110.72 6.66 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 111.12 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' A' ' 803' ' ' ASN . 19.4 Cg_endo -62.44 164.21 18.56 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.443 1.233 . . . . 0.0 109.794 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.75 64.27 0.56 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.682 1.359 . . . . 0.0 110.84 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 804' ' ' PRO . 0.2 OUTLIER -176.14 42.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.105 -0.997 . . . . 0.0 110.721 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.09 167.4 26.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.114 -0.991 . . . . 0.0 110.599 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.49 -33.19 73.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.457 -0.777 . . . . 0.0 110.475 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' TYR . . . . . 0.59 ' CE1' ' NO2' ' A' ' 201' ' ' NP1 . 0.4 OUTLIER -53.63 -46.73 70.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 110.566 -179.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.52 ' CE2' ' CG ' ' A' ' 800' ' ' LYS . 10.8 t80 -64.44 -48.81 73.89 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.101 -0.999 . . . . 0.0 109.287 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -46.9 -72.66 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.661 -0.649 . . . . 0.0 110.785 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . 0.783 ' HA ' HD12 ' A' ' 815' ' ' ILE . 14.9 p -50.68 -37.92 43.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 0.0 110.805 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 810' ' ' TYR . . . -55.78 -43.02 76.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.93 -1.107 . . . . 0.0 109.831 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -70.14 -36.96 75.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.332 -0.855 . . . . 0.0 109.842 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 812' ' ' CYS . 58.8 mt -66.74 -60.62 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.434 -0.791 . . . . 0.0 110.317 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' LEU . . . . . 1.034 HD21 HG13 ' A' ' 739' ' ' VAL . 0.4 OUTLIER -54.11 -48.34 70.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 110.059 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -52.97 -39.02 62.66 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.111 -0.993 . . . . 0.0 110.016 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -57.79 10.46 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.286 -0.884 . . . . 0.0 109.437 177.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -54.39 -54.49 39.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.612 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' PHE . . . . . 0.699 ' CE1' HD13 ' A' ' 792' ' ' LEU . 37.0 t80 -46.84 -59.93 2.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.57 -0.706 . . . . 0.0 110.672 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' PHE . . . . . 0.478 ' HA ' HD11 ' A' ' 824' ' ' ILE . 2.9 m-85 -48.53 -56.26 8.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.851 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 45.2 t -56.11 -37.37 69.33 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.044 -1.035 . . . . 0.0 109.829 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -66.38 -53.81 31.64 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.329 -0.857 . . . . 0.0 110.101 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.577 HD12 HG12 ' A' ' 830' ' ' ILE . 30.6 pt -60.99 -42.4 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.12 -0.988 . . . . 0.0 109.834 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 824' ' ' ILE . 12.6 ttmt -54.2 -37.51 64.62 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.033 -1.042 . . . . 0.0 109.732 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.64 -53.12 11.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.395 -0.816 . . . . 0.0 110.344 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ALA . . . . . 0.433 ' HB1' ' CG2' ' A' ' 731' ' ' THR . . . -57.96 -19.77 32.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.399 -0.813 . . . . 0.0 110.544 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' GLY . . . . . 0.431 ' HA2' ' CD ' ' A' ' 720' ' ' LYS . . . 90.2 40.27 5.83 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.181 -1.567 . . . . 0.0 109.181 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.448 ' HB2' ' HB ' ' A' ' 824' ' ' ILE . 42.9 mt -106.51 -121.06 0.23 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.352 -1.087 . . . . 0.0 109.759 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.577 HG12 HD12 ' A' ' 824' ' ' ILE . 75.6 mt 53.7 100.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.602 -1.311 . . . . 0.0 110.755 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -72.14 -20.97 61.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 110.21 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.535 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' NP1 . . . . . 0.641 ' CR1' HG13 ' A' ' 752' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_