data_1zs5_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 1zs5 _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 1.489 2.205 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 47.2 p -115.03 -172.42 2.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.225 -1.162 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 717' ' ' HIS . 21.6 p80 -117.37 118.69 32.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.238 -0.914 . . . . 0.0 110.311 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 16.8 ttm -120.42 -30.3 4.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 0.0 110.467 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.79 84.72 0.05 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.359 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.16 26.53 0.11 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.39 125.81 4.24 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.246 -0.909 . . . . 0.0 110.239 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -61.05 179.96 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.286 0 O-C-N 123.443 1.233 . . . . 0.0 110.362 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' ARG . . . . . 0.428 ' CD ' ' N ' ' A' ' 723' ' ' ARG . 0.3 OUTLIER -132.01 98.49 4.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -0.908 . . . . 0.0 110.473 -179.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 57.66 158.5 0.09 OUTLIER Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.503 -0.748 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -70.97 -23.41 25.31 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.698 1.368 . . . . 0.0 110.623 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -63.39 1.19 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.2 -0.938 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -58.6 -49.98 75.48 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.274 -0.891 . . . . 0.0 110.164 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' LEU . . . . . . . . . . . . . 42.6 tp -53.53 -40.15 65.24 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 110.258 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.41 -68.43 0.17 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.06 -1.025 . . . . 0.0 110.406 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' SER . . . . . . . . . . . . . 4.0 p -60.04 -31.52 70.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.123 -0.986 . . . . 0.0 110.3 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 65.5 m -54.72 -50.78 67.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.008 -1.058 . . . . 0.0 109.549 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 788' ' ' PHE . 82.2 mt -61.09 -37.08 81.44 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.26 -0.9 . . . . 0.0 108.739 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 777' ' ' LEU . 10.6 ttpp -64.54 -32.07 73.56 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.624 -0.672 . . . . 0.0 110.109 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.55 -45.46 37.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 0.0 109.341 177.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 735' ' ' ILE . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 823' ' ' LYS . 94.0 mt -56.17 -43.56 76.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.422 -0.799 . . . . 0.0 109.611 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 770' ' ' LEU . 9.2 tp -65.57 -39.86 92.12 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.275 -0.89 . . . . 0.0 109.422 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -56.12 -41.08 74.74 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.417 -0.802 . . . . 0.0 109.677 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -80.15 -55.46 4.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.823 . . . . 0.0 110.106 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' VAL . . . . . 0.437 HG12 ' CD2' ' A' ' 816' ' ' LEU . 52.6 t -49.98 -48.47 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.395 -0.816 . . . . 0.0 110.339 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -68.25 -46.03 71.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 110.53 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 31.4 t -65.13 -20.31 66.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 0.0 110.584 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 744' ' ' SER . 2.4 t60 -61.82 134.83 57.21 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.303 -0.873 . . . . 0.0 110.723 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.48 -31.4 9.97 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.164 -0.96 . . . . 0.0 110.406 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' SER . . . . . 0.49 ' HB2' ' CD2' ' A' ' 742' ' ' HIS . 1.4 m -87.73 45.25 1.26 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.173 -0.954 . . . . 0.0 110.927 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 749' ' ' MET . . . -132.78 -0.53 3.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.222 -0.924 . . . . 0.0 111.239 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' TRP . . . . . 0.569 ' N ' ' CD ' ' A' ' 747' ' ' PRO . 34.1 p-90 -59.8 -26.38 2.59 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 120.821 -1.175 . . . . 0.0 113.007 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 746' ' ' TRP . 5.0 Cg_exo -72.58 -4.81 16.0 Favored 'Trans proline' 0 N--CA 1.482 0.819 0 CA-C-N 119.39 0.818 . . . . 0.0 110.447 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 795' ' ' VAL . 4.7 m-85 -130.98 -38.78 1.23 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.999 -1.063 . . . . 0.0 109.808 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' MET . . . . . 0.463 ' CG ' ' N ' ' A' ' 750' ' ' GLU . 0.0 OUTLIER -50.26 -62.12 1.77 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.416 -0.803 . . . . 0.0 110.259 -179.018 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 749' ' ' MET . 3.0 pt-20 -82.13 158.64 66.76 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.965 -1.084 . . . . 0.0 110.532 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -71.91 151.34 56.52 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 O-C-N 123.949 1.5 . . . . 0.0 110.594 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . 0.422 HG11 ' CD2' ' A' ' 201' ' ' MIB . 33.8 m -108.16 154.61 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.268 -0.895 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -153.91 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -108.6 -37.87 5.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 110.089 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 16.4 p -121.82 19.22 11.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 0.0 110.405 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.06 -19.33 54.47 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.144 -0.973 . . . . 0.0 110.395 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . 0.427 ' HB2' ' CE2' ' A' ' 201' ' ' MIB . . . -89.2 128.37 51.79 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.1 -1.0 . . . . 0.0 110.166 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.13 83.04 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.459 1.242 . . . . 0.0 110.733 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . 102.1 74.77 1.07 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 761' ' ' TYR . 61.1 t80 -128.2 170.61 12.8 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.228 -1.16 . . . . 0.0 109.912 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 760' ' ' TYR . 8.5 t80 69.86 -54.48 0.61 Allowed 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.254 -0.904 . . . . 0.0 111.238 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -89.45 44.69 1.22 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.928 -1.107 . . . . 0.0 110.284 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . 0.421 HG12 HG12 ' A' ' 764' ' ' ILE . 2.4 p -172.63 -42.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.398 -0.814 . . . . 0.0 109.8 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' ILE . . . . . 0.421 HG12 HG12 ' A' ' 763' ' ' VAL . 26.0 mm -84.4 99.19 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.957 . . . . 0.0 109.734 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -37.35 67.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 0.0 110.633 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -137.58 84.42 22.92 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.086 -1.009 . . . . 0.0 110.65 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' PRO . . . . . 0.402 ' N ' HG23 ' A' ' 764' ' ' ILE . 50.9 Cg_exo -51.5 135.57 47.81 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.616 1.324 . . . . 0.0 110.462 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' MET . . . . . . . . . . . . . 3.7 ttm -150.07 154.11 37.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 110.71 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -151.99 169.5 22.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.354 -0.841 . . . . 0.0 110.185 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 736' ' ' LEU . 19.5 mt -72.21 -25.4 61.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.421 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -63.02 -21.21 65.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 52.1 m -92.79 -40.91 10.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' MET . . . . . 0.422 ' SD ' ' CE1' ' A' ' 782' ' ' TYR . 2.0 mmm -56.97 -62.49 1.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.253 -0.904 . . . . 0.0 110.361 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' SER . . . . . 0.432 ' N ' HD21 ' A' ' 736' ' ' LEU . 17.3 m -51.54 -29.78 18.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 110.4 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.42 -53.92 44.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.234 -0.916 . . . . 0.0 110.263 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' ARG . . . . . 0.45 ' HB3' ' CB ' ' A' ' 781' ' ' TYR . 38.2 mtt180 -76.59 -48.3 19.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.191 -0.943 . . . . 0.0 110.014 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 733' ' ' LYS . 1.5 tp -51.15 -33.25 26.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.29 -0.881 . . . . 0.0 110.032 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.97 -64.3 0.88 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.206 -0.934 . . . . 0.0 109.97 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.31 -73.5 0.15 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.273 -0.892 . . . . 0.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -177.0 101.7 0.05 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.074 -1.017 . . . . 0.0 110.791 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' TYR . . . . . 0.45 ' CB ' ' HB3' ' A' ' 776' ' ' ARG . 1.0 OUTLIER -156.94 -65.14 0.1 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.06 -1.025 . . . . 0.0 110.743 178.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' TYR . . . . . 0.422 ' CE1' ' SD ' ' A' ' 773' ' ' MET . 83.7 m-85 -75.34 65.48 1.65 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.971 -1.081 . . . . 0.0 110.57 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 9.1 p -96.18 -11.17 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 110.292 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.79 168.51 11.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.166 -0.958 . . . . 0.0 110.665 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -86.76 -40.28 15.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.376 -0.827 . . . . 0.0 110.25 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -75.85 -39.28 56.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 0.0 110.468 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 4.2 tp -56.73 -57.33 12.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 109.606 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' PHE . . . . . 0.492 ' CD2' HD23 ' A' ' 732' ' ' LEU . 74.2 t80 -59.9 -52.28 66.1 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.843 . . . . 0.0 110.481 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' MET . . . . . . . . . . . . . 23.4 tpp -54.27 -46.27 72.66 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 110.639 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -53.31 -60.67 3.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.184 -0.948 . . . . 0.0 110.456 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.12 -60.61 3.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.247 -0.908 . . . . 0.0 110.575 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' LEU . . . . . 0.558 ' CD1' ' CE2' ' A' ' 796' ' ' PHE . 1.3 tm? -46.89 -52.69 13.83 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.371 -0.831 . . . . 0.0 110.417 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -58.93 -31.89 69.08 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.229 -0.919 . . . . 0.0 109.115 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . 0.405 ' HA ' ' CG2' ' A' ' 797' ' ' THR . 4.5 ttm180 -67.2 -29.63 69.35 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.438 -0.789 . . . . 0.0 109.663 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 748' ' ' PHE . 61.8 t -66.93 -56.96 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.503 -0.748 . . . . 0.0 109.891 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.558 ' CE2' ' CD1' ' A' ' 792' ' ' LEU . 20.7 m-85 -54.75 -49.67 70.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.271 -0.893 . . . . 0.0 110.712 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 801' ' ' GLU . 10.0 t -67.64 -41.31 84.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -0.98 . . . . 0.0 110.897 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . 0.423 ' HB3' ' CO ' ' A' ' 201' ' ' MIB . 0.7 OUTLIER -51.29 -48.42 62.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.993 -1.067 . . . . 0.0 110.471 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' CYS . . . . . 0.495 ' HA ' ' CE2' ' A' ' 802' ' ' TYR . 0.1 OUTLIER -62.55 -55.05 30.99 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -20.43 5.85 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.534 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 797' ' ' THR . 2.7 tt0 -77.23 -60.95 2.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.231 -0.918 . . . . 0.0 111.698 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.495 ' CE2' ' HA ' ' A' ' 799' ' ' CYS . 14.1 p90 -85.17 -13.83 48.86 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.916 -1.115 . . . . 0.0 111.476 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 804' ' ' PRO . 6.8 t30 -90.42 139.04 26.68 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.018 -1.051 . . . . 0.0 110.114 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' PRO . . . . . 0.44 ' O ' ' ND2' ' A' ' 803' ' ' ASN . 18.0 Cg_endo -65.7 175.72 4.19 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 O-C-N 123.552 1.291 . . . . 0.0 110.864 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -67.22 -22.78 46.12 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.496 1.261 . . . . 0.0 111.098 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -117.46 96.81 5.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.083 -1.011 . . . . 0.0 110.742 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' SER . . . . . 0.421 ' HB2' ' OD1' ' A' ' 803' ' ' ASN . 0.1 OUTLIER -167.02 155.94 10.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.377 -0.827 . . . . 0.0 109.967 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.03 -33.55 74.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.941 . . . . 0.0 110.089 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -54.8 -48.0 73.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 109.86 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -65.37 -47.56 75.97 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.163 -0.96 . . . . 0.0 109.474 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -47.79 -72.54 0.05 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.293 -0.879 . . . . 0.0 110.621 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . 0.42 ' SG ' ' CZ2' ' A' ' 746' ' ' TRP . 22.2 p -50.43 -34.94 26.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.031 -1.043 . . . . 0.0 110.849 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 817' ' ' GLU . . . -70.12 -33.2 71.53 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.951 -1.093 . . . . 0.0 110.361 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.4 -31.8 37.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.247 -0.908 . . . . 0.0 109.925 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' ILE . . . . . . . . . . . . . 68.9 mt -71.84 -54.49 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.361 -0.837 . . . . 0.0 109.653 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' LEU . . . . . 0.475 ' HG ' ' CZ ' ' A' ' 796' ' ' PHE . 24.1 tp -62.01 -41.28 97.89 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.322 -0.861 . . . . 0.0 109.487 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' GLU . . . . . 0.541 ' HA ' ' CE2' ' A' ' 796' ' ' PHE . 0.1 OUTLIER -57.71 -40.0 78.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.223 -0.923 . . . . 0.0 109.61 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -60.79 -48.32 82.34 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -58.35 -43.14 88.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.582 -0.698 . . . . 0.0 109.954 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' PHE . . . . . 0.486 ' CE1' ' HG ' ' A' ' 792' ' ' LEU . 46.9 t80 -59.04 -63.37 1.33 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.379 -0.825 . . . . 0.0 110.376 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' PHE . . . . . 0.455 ' HA ' ' CD1' ' A' ' 824' ' ' ILE . 14.6 m-85 -46.51 -46.32 19.07 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.615 -0.678 . . . . 0.0 111.146 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 3.8 m -58.38 -59.2 5.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.242 -0.911 . . . . 0.0 109.954 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.43 ' NZ ' ' HA ' ' A' ' 735' ' ' ILE . 4.8 tppp? -47.28 -57.34 5.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.52 -0.738 . . . . 0.0 110.864 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 821' ' ' PHE . 31.6 pt -61.36 -41.24 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 0.0 110.131 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 824' ' ' ILE . 6.5 mtmt -51.55 -30.52 20.92 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.103 -0.998 . . . . 0.0 110.002 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.56 -27.3 24.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.504 -0.748 . . . . 0.0 110.61 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ALA . . . . . 0.427 ' CB ' ' HG ' ' A' ' 829' ' ' LEU . . . -89.19 16.33 7.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 0.0 110.819 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' GLY . . . . . . . . . . . . . . . 53.23 35.4 49.82 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.427 ' HG ' ' CB ' ' A' ' 827' ' ' ALA . 77.4 mt -95.07 -135.01 0.2 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.296 -1.12 . . . . 0.0 109.889 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 825' ' ' LYS . 2.2 mp 61.27 143.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.028 -1.045 . . . . 0.0 110.668 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -163.79 -45.31 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.241 -0.912 . . . . 0.0 110.149 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.338 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' MIB . . . . . 0.427 ' CE2' ' HB2' ' A' ' 757' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 47.2 p -115.03 -172.42 2.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.225 -1.162 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 717' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 717' ' ' HIS . 21.6 p80 -117.37 118.69 32.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.238 -0.914 . . . . 0.0 110.311 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 16.8 ttm -120.42 -30.3 4.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 0.0 110.467 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.79 84.72 0.05 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.359 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 720' ' ' LYS . . . . . 0.447 ' HA ' ' HA2' ' A' ' 828' ' ' GLY . 0.0 OUTLIER -162.16 26.53 0.11 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.407 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.39 125.81 4.24 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.246 -0.909 . . . . 0.0 110.239 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -61.05 179.96 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.286 0 O-C-N 123.443 1.233 . . . . 0.0 110.362 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 723' ' ' ARG . . . . . 0.428 ' CD ' ' N ' ' A' ' 723' ' ' ARG . 0.3 OUTLIER -132.01 98.49 4.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -0.908 . . . . 0.0 110.473 -179.716 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 57.66 158.5 0.09 OUTLIER Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.503 -0.748 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -70.97 -23.41 25.31 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.698 1.368 . . . . 0.0 110.623 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -63.39 1.19 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.2 -0.938 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -58.6 -49.98 75.48 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.274 -0.891 . . . . 0.0 110.164 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 728' ' ' LEU . . . . . 0.401 ' O ' ' HB ' ' A' ' 731' ' ' THR . 42.6 tp -53.53 -40.15 65.24 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 110.258 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.41 -68.43 0.17 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.06 -1.025 . . . . 0.0 110.406 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 730' ' ' SER . . . . . . . . . . . . . 4.0 p -60.04 -31.52 70.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.123 -0.986 . . . . 0.0 110.3 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 731' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 728' ' ' LEU . 65.5 m -54.72 -50.78 67.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.008 -1.058 . . . . 0.0 109.549 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 732' ' ' LEU . . . . . 0.956 HD22 ' CD2' ' A' ' 788' ' ' PHE . 82.2 mt -61.09 -37.08 81.44 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.26 -0.9 . . . . 0.0 108.739 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 733' ' ' LYS . . . . . 0.812 ' HA ' HD21 ' A' ' 777' ' ' LEU . 10.6 ttpp -64.54 -32.07 73.56 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.624 -0.672 . . . . 0.0 110.109 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.55 -45.46 37.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 0.0 109.341 177.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 735' ' ' ILE . . . . . 0.525 HG21 ' HE1' ' A' ' 820' ' ' PHE . 94.0 mt -56.17 -43.56 76.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.422 -0.799 . . . . 0.0 109.611 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.698 HD11 ' CD2' ' A' ' 770' ' ' LEU . 9.2 tp -65.57 -39.86 92.12 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.275 -0.89 . . . . 0.0 109.422 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 737' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -56.12 -41.08 74.74 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.417 -0.802 . . . . 0.0 109.677 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -80.15 -55.46 4.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.823 . . . . 0.0 110.106 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 739' ' ' VAL . . . . . 0.74 HG13 HD11 ' A' ' 816' ' ' LEU . 52.6 t -49.98 -48.47 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.395 -0.816 . . . . 0.0 110.339 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 740' ' ' LYS . . . . . 0.432 ' HG2' ' HB2' ' A' ' 749' ' ' MET . 11.3 ttmt -68.25 -46.03 71.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 110.53 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 31.4 t -65.13 -20.31 66.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 0.0 110.584 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 744' ' ' SER . 2.4 t60 -61.82 134.83 57.21 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.303 -0.873 . . . . 0.0 110.723 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.48 -31.4 9.97 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.164 -0.96 . . . . 0.0 110.406 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 744' ' ' SER . . . . . 0.513 ' HB2' ' CD2' ' A' ' 742' ' ' HIS . 1.4 m -87.73 45.25 1.26 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.173 -0.954 . . . . 0.0 110.927 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 745' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 739' ' ' VAL . . . -132.78 -0.53 3.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.222 -0.924 . . . . 0.0 111.239 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 746' ' ' TRP . . . . . 0.569 ' N ' ' CD ' ' A' ' 747' ' ' PRO . 34.1 p-90 -59.8 -26.38 2.59 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 120.821 -1.175 . . . . 0.0 113.007 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 747' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 746' ' ' TRP . 5.0 Cg_exo -72.58 -4.81 16.0 Favored 'Trans proline' 0 N--CA 1.482 0.819 0 CA-C-N 119.39 0.818 . . . . 0.0 110.447 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 748' ' ' PHE . . . . . 0.74 ' HB2' HD12 ' A' ' 770' ' ' LEU . 4.7 m-85 -130.98 -38.78 1.23 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.999 -1.063 . . . . 0.0 109.808 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 749' ' ' MET . . . . . 0.463 ' CG ' ' N ' ' A' ' 750' ' ' GLU . 0.0 OUTLIER -50.26 -62.12 1.77 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.416 -0.803 . . . . 0.0 110.259 -179.018 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 750' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 749' ' ' MET . 3.0 pt-20 -82.13 158.64 66.76 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.965 -1.084 . . . . 0.0 110.532 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -71.91 151.34 56.52 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 O-C-N 123.949 1.5 . . . . 0.0 110.594 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' VAL . . . . . 0.602 HG21 ' CD1' ' A' ' 201' ' ' MIB . 33.8 m -108.16 154.61 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.268 -0.895 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -153.91 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 754' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -108.6 -37.87 5.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 110.089 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 16.4 p -121.82 19.22 11.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 0.0 110.405 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.06 -19.33 54.47 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.144 -0.973 . . . . 0.0 110.395 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.938 ' HB2' ' CE2' ' A' ' 201' ' ' MIB . . . -89.2 128.37 51.79 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.1 -1.0 . . . . 0.0 110.166 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.13 83.04 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.459 1.242 . . . . 0.0 110.733 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 759' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 802' ' ' TYR . . . 102.1 74.77 1.07 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 760' ' ' TYR . . . . . 0.528 ' HB2' ' HB3' ' A' ' 757' ' ' ALA . 61.1 t80 -128.2 170.61 12.8 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.228 -1.16 . . . . 0.0 109.912 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 761' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 760' ' ' TYR . 8.5 t80 69.86 -54.48 0.61 Allowed 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.254 -0.904 . . . . 0.0 111.238 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -89.45 44.69 1.22 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.928 -1.107 . . . . 0.0 110.284 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' VAL . . . . . 0.408 HG13 HG12 ' A' ' 764' ' ' ILE . 2.4 p -172.63 -42.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.398 -0.814 . . . . 0.0 109.8 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 764' ' ' ILE . . . . . 0.53 HD13 ' OE1' ' A' ' 801' ' ' GLU . 26.0 mm -84.4 99.19 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.957 . . . . 0.0 109.734 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -37.35 67.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 0.0 110.633 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -137.58 84.42 22.92 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.086 -1.009 . . . . 0.0 110.65 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 767' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' A' ' 764' ' ' ILE . 50.9 Cg_exo -51.5 135.57 47.81 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.616 1.324 . . . . 0.0 110.462 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 768' ' ' MET . . . . . . . . . . . . . 3.7 ttm -150.07 154.11 37.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 110.71 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -151.99 169.5 22.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.354 -0.841 . . . . 0.0 110.185 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.74 HD12 ' HB2' ' A' ' 748' ' ' PHE . 19.5 mt -72.21 -25.4 61.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.421 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 771' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -63.02 -21.21 65.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 52.1 m -92.79 -40.91 10.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 773' ' ' MET . . . . . 0.424 ' HA ' ' CE2' ' A' ' 782' ' ' TYR . 2.0 mmm -56.97 -62.49 1.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.253 -0.904 . . . . 0.0 110.361 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 774' ' ' SER . . . . . 0.561 ' OG ' HD23 ' A' ' 736' ' ' LEU . 17.3 m -51.54 -29.78 18.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 110.4 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.42 -53.92 44.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.234 -0.916 . . . . 0.0 110.263 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 776' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 781' ' ' TYR . 38.2 mtt180 -76.59 -48.3 19.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.191 -0.943 . . . . 0.0 110.014 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 777' ' ' LEU . . . . . 0.812 HD21 ' HA ' ' A' ' 733' ' ' LYS . 1.5 tp -51.15 -33.25 26.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.29 -0.881 . . . . 0.0 110.032 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 778' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.97 -64.3 0.88 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.206 -0.934 . . . . 0.0 109.97 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.31 -73.5 0.15 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.273 -0.892 . . . . 0.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -177.0 101.7 0.05 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.074 -1.017 . . . . 0.0 110.791 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 781' ' ' TYR . . . . . 0.472 ' CB ' ' HB3' ' A' ' 776' ' ' ARG . 1.0 OUTLIER -156.94 -65.14 0.1 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.06 -1.025 . . . . 0.0 110.743 178.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 782' ' ' TYR . . . . . 0.657 ' O ' HD12 ' A' ' 732' ' ' LEU . 83.7 m-85 -75.34 65.48 1.65 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.971 -1.081 . . . . 0.0 110.57 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 9.1 p -96.18 -11.17 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 110.292 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 787' ' ' LEU . 0.2 OUTLIER -91.79 168.51 11.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.166 -0.958 . . . . 0.0 110.665 -179.601 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -86.76 -40.28 15.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.376 -0.827 . . . . 0.0 110.25 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -75.85 -39.28 56.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 0.0 110.468 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 784' ' ' SER . 4.2 tp -56.73 -57.33 12.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 109.606 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 788' ' ' PHE . . . . . 0.956 ' CD2' HD22 ' A' ' 732' ' ' LEU . 74.2 t80 -59.9 -52.28 66.1 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.843 . . . . 0.0 110.481 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 789' ' ' MET . . . . . . . . . . . . . 23.4 tpp -54.27 -46.27 72.66 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 110.639 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 790' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 794' ' ' ARG . . . -53.31 -60.67 3.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.184 -0.948 . . . . 0.0 110.456 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 791' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 795' ' ' VAL . 2.7 m-20 -57.12 -60.61 3.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.247 -0.908 . . . . 0.0 110.575 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 792' ' ' LEU . . . . . 0.761 HD12 ' CE2' ' A' ' 820' ' ' PHE . 1.3 tm? -46.89 -52.69 13.83 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.371 -0.831 . . . . 0.0 110.417 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 793' ' ' GLN . . . . . 0.524 ' O ' HG22 ' A' ' 797' ' ' THR . 4.9 tm0? -58.93 -31.89 69.08 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.229 -0.919 . . . . 0.0 109.115 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 794' ' ' ARG . . . . . 0.458 ' HA ' ' CG2' ' A' ' 797' ' ' THR . 4.5 ttm180 -67.2 -29.63 69.35 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.438 -0.789 . . . . 0.0 109.663 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 795' ' ' VAL . . . . . 0.416 ' CG1' ' CD1' ' A' ' 748' ' ' PHE . 61.8 t -66.93 -56.96 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.503 -0.748 . . . . 0.0 109.891 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.558 ' CE2' ' CD1' ' A' ' 792' ' ' LEU . 20.7 m-85 -54.75 -49.67 70.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.271 -0.893 . . . . 0.0 110.712 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 797' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 793' ' ' GLN . 10.0 t -67.64 -41.31 84.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -0.98 . . . . 0.0 110.897 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 798' ' ' ASN . . . . . 0.514 ' N ' HG23 ' A' ' 797' ' ' THR . 3.9 m-20 -51.29 -48.42 62.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.993 -1.067 . . . . 0.0 110.471 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 799' ' ' CYS . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 802' ' ' TYR . 0.1 OUTLIER -62.55 -55.05 30.99 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.192 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -20.43 5.85 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.534 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.53 ' OE1' HD13 ' A' ' 764' ' ' ILE . 2.7 tt0 -77.23 -60.95 2.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.231 -0.918 . . . . 0.0 111.698 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.499 ' CZ ' ' HA ' ' A' ' 799' ' ' CYS . 14.1 p90 -85.17 -13.83 48.86 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.916 -1.115 . . . . 0.0 111.476 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 807' ' ' SER . 6.8 t30 -90.42 139.04 26.68 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.018 -1.051 . . . . 0.0 110.114 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 804' ' ' PRO . . . . . 0.44 ' O ' ' ND2' ' A' ' 803' ' ' ASN . 18.0 Cg_endo -65.7 175.72 4.19 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 O-C-N 123.552 1.291 . . . . 0.0 110.864 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 805' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 804' ' ' PRO . 12.6 Cg_endo -67.22 -22.78 46.12 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.496 1.261 . . . . 0.0 111.098 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -117.46 96.81 5.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.083 -1.011 . . . . 0.0 110.742 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' SER . . . . . 0.446 ' HB2' ' OD1' ' A' ' 803' ' ' ASN . 0.1 OUTLIER -167.02 155.94 10.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.377 -0.827 . . . . 0.0 109.967 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.03 -33.55 74.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.941 . . . . 0.0 110.089 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 809' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -54.8 -48.0 73.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 109.86 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -65.37 -47.56 75.97 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.163 -0.96 . . . . 0.0 109.474 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 807' ' ' SER . 3.9 mttp -47.79 -72.54 0.05 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.293 -0.879 . . . . 0.0 110.621 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 812' ' ' CYS . . . . . 0.409 ' HA ' ' OG ' ' A' ' 744' ' ' SER . 22.2 p -50.43 -34.94 26.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.031 -1.043 . . . . 0.0 110.849 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 817' ' ' GLU . . . -70.12 -33.2 71.53 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.951 -1.093 . . . . 0.0 110.361 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 814' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.4 -31.8 37.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.247 -0.908 . . . . 0.0 109.925 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' ILE . . . . . . . . . . . . . 68.9 mt -71.84 -54.49 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.361 -0.837 . . . . 0.0 109.653 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 816' ' ' LEU . . . . . 0.74 HD11 HG13 ' A' ' 739' ' ' VAL . 24.1 tp -62.01 -41.28 97.89 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.322 -0.861 . . . . 0.0 109.487 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 817' ' ' GLU . . . . . 0.534 ' HA ' ' CE2' ' A' ' 796' ' ' PHE . 0.1 OUTLIER -57.71 -40.0 78.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.223 -0.923 . . . . 0.0 109.61 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -60.79 -48.32 82.34 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 819' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -58.35 -43.14 88.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.582 -0.698 . . . . 0.0 109.954 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' PHE . . . . . 0.761 ' CE2' HD12 ' A' ' 792' ' ' LEU . 46.9 t80 -59.04 -63.37 1.33 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.379 -0.825 . . . . 0.0 110.376 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 821' ' ' PHE . . . . . 0.619 ' HA ' HD11 ' A' ' 824' ' ' ILE . 14.6 m-85 -46.51 -46.32 19.07 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.615 -0.678 . . . . 0.0 111.146 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 3.8 m -58.38 -59.2 5.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.242 -0.911 . . . . 0.0 109.954 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 735' ' ' ILE . 4.8 tppp? -47.28 -57.34 5.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.52 -0.738 . . . . 0.0 110.864 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 821' ' ' PHE . 31.6 pt -61.36 -41.24 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 0.0 110.131 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 824' ' ' ILE . 6.5 mtmt -51.55 -30.52 20.92 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.103 -0.998 . . . . 0.0 110.002 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.56 -27.3 24.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.504 -0.748 . . . . 0.0 110.61 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ALA . . . . . 0.487 ' HB3' ' HG ' ' A' ' 829' ' ' LEU . . . -89.19 16.33 7.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 0.0 110.819 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 828' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 720' ' ' LYS . . . 53.23 35.4 49.82 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 827' ' ' ALA . 77.4 mt -95.07 -135.01 0.2 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.296 -1.12 . . . . 0.0 109.889 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.539 HG13 HD12 ' A' ' 824' ' ' ILE . 2.2 mp 61.27 143.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.028 -1.045 . . . . 0.0 110.668 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -163.79 -45.31 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.241 -0.912 . . . . 0.0 110.149 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.338 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' MIB . . . . . 0.938 ' CE2' ' HB2' ' A' ' 757' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 47.2 p -115.03 -172.42 2.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.225 -1.162 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 717' ' ' HIS . 21.6 p80 -117.37 118.69 32.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.238 -0.914 . . . . 0.0 110.311 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 16.8 ttm -120.42 -30.3 4.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 0.0 110.467 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.79 84.72 0.05 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.359 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . 0.447 ' HA ' ' HA2' ' A' ' 828' ' ' GLY . 0.0 OUTLIER -162.16 26.53 0.11 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.407 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.39 125.81 4.24 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.246 -0.909 . . . . 0.0 110.239 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -61.05 179.96 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.286 0 O-C-N 123.443 1.233 . . . . 0.0 110.362 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' ARG . . . . . 0.428 ' CD ' ' N ' ' A' ' 723' ' ' ARG . 0.3 OUTLIER -132.01 98.49 4.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -0.908 . . . . 0.0 110.473 -179.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 57.66 158.5 0.09 OUTLIER Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.503 -0.748 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -70.97 -23.41 25.31 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.698 1.368 . . . . 0.0 110.623 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -63.39 1.19 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.2 -0.938 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -58.6 -49.98 75.48 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.274 -0.891 . . . . 0.0 110.164 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' LEU . . . . . 0.401 ' O ' ' HB ' ' A' ' 731' ' ' THR . 42.6 tp -53.53 -40.15 65.24 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 110.258 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.41 -68.43 0.17 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.06 -1.025 . . . . 0.0 110.406 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' SER . . . . . . . . . . . . . 4.0 p -60.04 -31.52 70.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.123 -0.986 . . . . 0.0 110.3 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 728' ' ' LEU . 65.5 m -54.72 -50.78 67.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.008 -1.058 . . . . 0.0 109.549 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' LEU . . . . . 0.956 HD22 ' CD2' ' A' ' 788' ' ' PHE . 82.2 mt -61.09 -37.08 81.44 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.26 -0.9 . . . . 0.0 108.739 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . 0.812 ' HA ' HD21 ' A' ' 777' ' ' LEU . 10.6 ttpp -64.54 -32.07 73.56 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.624 -0.672 . . . . 0.0 110.109 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.55 -45.46 37.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 0.0 109.341 177.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 735' ' ' ILE . . . . . 0.525 HG21 ' HE1' ' A' ' 820' ' ' PHE . 94.0 mt -56.17 -43.56 76.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.422 -0.799 . . . . 0.0 109.611 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.698 HD11 ' CD2' ' A' ' 770' ' ' LEU . 9.2 tp -65.57 -39.86 92.12 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.275 -0.89 . . . . 0.0 109.422 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -56.12 -41.08 74.74 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.417 -0.802 . . . . 0.0 109.677 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -80.15 -55.46 4.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.823 . . . . 0.0 110.106 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' VAL . . . . . 0.74 HG13 HD11 ' A' ' 816' ' ' LEU . 52.6 t -49.98 -48.47 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.395 -0.816 . . . . 0.0 110.339 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . 0.432 ' HG2' ' HB2' ' A' ' 749' ' ' MET . 11.3 ttmt -68.25 -46.03 71.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 110.53 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 31.4 t -65.13 -20.31 66.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 0.0 110.584 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 744' ' ' SER . 2.4 t60 -61.82 134.83 57.21 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.303 -0.873 . . . . 0.0 110.723 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.48 -31.4 9.97 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.164 -0.96 . . . . 0.0 110.406 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . 0.513 ' HB2' ' CD2' ' A' ' 742' ' ' HIS . 1.4 m -87.73 45.25 1.26 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.173 -0.954 . . . . 0.0 110.927 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 739' ' ' VAL . . . -132.78 -0.53 3.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.222 -0.924 . . . . 0.0 111.239 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' TRP . . . . . 0.569 ' N ' ' CD ' ' A' ' 747' ' ' PRO . 34.1 p-90 -59.8 -26.38 2.59 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 120.821 -1.175 . . . . 0.0 113.007 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 746' ' ' TRP . 5.0 Cg_exo -72.58 -4.81 16.0 Favored 'Trans proline' 0 N--CA 1.482 0.819 0 CA-C-N 119.39 0.818 . . . . 0.0 110.447 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' PHE . . . . . 0.74 ' HB2' HD12 ' A' ' 770' ' ' LEU . 4.7 m-85 -130.98 -38.78 1.23 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.999 -1.063 . . . . 0.0 109.808 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' MET . . . . . 0.463 ' CG ' ' N ' ' A' ' 750' ' ' GLU . 0.0 OUTLIER -50.26 -62.12 1.77 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.416 -0.803 . . . . 0.0 110.259 -179.018 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 749' ' ' MET . 3.0 pt-20 -82.13 158.64 66.76 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.965 -1.084 . . . . 0.0 110.532 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -71.91 151.34 56.52 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 O-C-N 123.949 1.5 . . . . 0.0 110.594 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . 0.602 HG21 ' CD1' ' A' ' 201' ' ' MIB . 33.8 m -108.16 154.61 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.268 -0.895 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -153.91 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -108.6 -37.87 5.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.0 110.089 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 16.4 p -121.82 19.22 11.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 0.0 110.405 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.06 -19.33 54.47 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.144 -0.973 . . . . 0.0 110.395 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.938 ' HB2' ' CE2' ' A' ' 201' ' ' MIB . . . -89.2 128.37 51.79 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.1 -1.0 . . . . 0.0 110.166 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.13 83.04 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.459 1.242 . . . . 0.0 110.733 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 802' ' ' TYR . . . 102.1 74.77 1.07 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' TYR . . . . . 0.528 ' HB2' ' HB3' ' A' ' 757' ' ' ALA . 61.1 t80 -128.2 170.61 12.8 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.228 -1.16 . . . . 0.0 109.912 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 760' ' ' TYR . 8.5 t80 69.86 -54.48 0.61 Allowed 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.254 -0.904 . . . . 0.0 111.238 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -89.45 44.69 1.22 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.928 -1.107 . . . . 0.0 110.284 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . 0.408 HG13 HG12 ' A' ' 764' ' ' ILE . 2.4 p -172.63 -42.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.398 -0.814 . . . . 0.0 109.8 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' ILE . . . . . 0.53 HD13 ' OE1' ' A' ' 801' ' ' GLU . 26.0 mm -84.4 99.19 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.957 . . . . 0.0 109.734 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -37.35 67.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 0.0 110.633 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -137.58 84.42 22.92 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.086 -1.009 . . . . 0.0 110.65 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' A' ' 764' ' ' ILE . 50.9 Cg_exo -51.5 135.57 47.81 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.616 1.324 . . . . 0.0 110.462 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' MET . . . . . . . . . . . . . 3.7 ttm -150.07 154.11 37.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 110.71 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -151.99 169.5 22.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.354 -0.841 . . . . 0.0 110.185 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.74 HD12 ' HB2' ' A' ' 748' ' ' PHE . 19.5 mt -72.21 -25.4 61.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.421 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -63.02 -21.21 65.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 52.1 m -92.79 -40.91 10.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' MET . . . . . 0.424 ' HA ' ' CE2' ' A' ' 782' ' ' TYR . 2.0 mmm -56.97 -62.49 1.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.253 -0.904 . . . . 0.0 110.361 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' SER . . . . . 0.561 ' OG ' HD23 ' A' ' 736' ' ' LEU . 17.3 m -51.54 -29.78 18.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 110.4 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.42 -53.92 44.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.234 -0.916 . . . . 0.0 110.263 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 781' ' ' TYR . 38.2 mtt180 -76.59 -48.3 19.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.191 -0.943 . . . . 0.0 110.014 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' LEU . . . . . 0.812 HD21 ' HA ' ' A' ' 733' ' ' LYS . 1.5 tp -51.15 -33.25 26.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.29 -0.881 . . . . 0.0 110.032 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.97 -64.3 0.88 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.206 -0.934 . . . . 0.0 109.97 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.31 -73.5 0.15 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.273 -0.892 . . . . 0.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -177.0 101.7 0.05 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.074 -1.017 . . . . 0.0 110.791 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' TYR . . . . . 0.472 ' CB ' ' HB3' ' A' ' 776' ' ' ARG . 1.0 OUTLIER -156.94 -65.14 0.1 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.06 -1.025 . . . . 0.0 110.743 178.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' TYR . . . . . 0.657 ' O ' HD12 ' A' ' 732' ' ' LEU . 83.7 m-85 -75.34 65.48 1.65 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.971 -1.081 . . . . 0.0 110.57 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 9.1 p -96.18 -11.17 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 110.292 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 787' ' ' LEU . 0.2 OUTLIER -91.79 168.51 11.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.166 -0.958 . . . . 0.0 110.665 -179.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -86.76 -40.28 15.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.376 -0.827 . . . . 0.0 110.25 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -75.85 -39.28 56.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 0.0 110.468 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 784' ' ' SER . 4.2 tp -56.73 -57.33 12.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 109.606 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' PHE . . . . . 0.956 ' CD2' HD22 ' A' ' 732' ' ' LEU . 74.2 t80 -59.9 -52.28 66.1 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.843 . . . . 0.0 110.481 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' MET . . . . . . . . . . . . . 23.4 tpp -54.27 -46.27 72.66 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 110.639 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 794' ' ' ARG . . . -53.31 -60.67 3.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.184 -0.948 . . . . 0.0 110.456 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 795' ' ' VAL . 2.7 m-20 -57.12 -60.61 3.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.247 -0.908 . . . . 0.0 110.575 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' LEU . . . . . 0.761 HD12 ' CE2' ' A' ' 820' ' ' PHE . 1.3 tm? -46.89 -52.69 13.83 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.371 -0.831 . . . . 0.0 110.417 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' GLN . . . . . 0.524 ' O ' HG22 ' A' ' 797' ' ' THR . 4.9 tm0? -58.93 -31.89 69.08 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.229 -0.919 . . . . 0.0 109.115 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . 0.458 ' HA ' ' CG2' ' A' ' 797' ' ' THR . 4.5 ttm180 -67.2 -29.63 69.35 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.438 -0.789 . . . . 0.0 109.663 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . 0.416 ' CG1' ' CD1' ' A' ' 748' ' ' PHE . 61.8 t -66.93 -56.96 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.503 -0.748 . . . . 0.0 109.891 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.558 ' CE2' ' CD1' ' A' ' 792' ' ' LEU . 20.7 m-85 -54.75 -49.67 70.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.271 -0.893 . . . . 0.0 110.712 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 793' ' ' GLN . 10.0 t -67.64 -41.31 84.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -0.98 . . . . 0.0 110.897 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . 0.514 ' N ' HG23 ' A' ' 797' ' ' THR . 0.7 OUTLIER -51.29 -48.42 62.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.993 -1.067 . . . . 0.0 110.471 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' CYS . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 802' ' ' TYR . 0.1 OUTLIER -62.55 -55.05 30.99 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.192 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -20.43 5.85 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.534 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.53 ' OE1' HD13 ' A' ' 764' ' ' ILE . 2.7 tt0 -77.23 -60.95 2.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.231 -0.918 . . . . 0.0 111.698 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.499 ' CZ ' ' HA ' ' A' ' 799' ' ' CYS . 14.1 p90 -85.17 -13.83 48.86 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.916 -1.115 . . . . 0.0 111.476 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 807' ' ' SER . 6.8 t30 -90.42 139.04 26.68 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.018 -1.051 . . . . 0.0 110.114 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' PRO . . . . . 0.44 ' O ' ' ND2' ' A' ' 803' ' ' ASN . 18.0 Cg_endo -65.7 175.72 4.19 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 O-C-N 123.552 1.291 . . . . 0.0 110.864 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 804' ' ' PRO . 12.6 Cg_endo -67.22 -22.78 46.12 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.496 1.261 . . . . 0.0 111.098 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -117.46 96.81 5.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.083 -1.011 . . . . 0.0 110.742 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . 0.446 ' HB2' ' OD1' ' A' ' 803' ' ' ASN . 0.1 OUTLIER -167.02 155.94 10.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.377 -0.827 . . . . 0.0 109.967 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.03 -33.55 74.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.941 . . . . 0.0 110.089 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -54.8 -48.0 73.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 109.86 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -65.37 -47.56 75.97 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.163 -0.96 . . . . 0.0 109.474 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 807' ' ' SER . 3.9 mttp -47.79 -72.54 0.05 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.293 -0.879 . . . . 0.0 110.621 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . 0.409 ' HA ' ' OG ' ' A' ' 744' ' ' SER . 22.2 p -50.43 -34.94 26.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.031 -1.043 . . . . 0.0 110.849 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 817' ' ' GLU . . . -70.12 -33.2 71.53 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.951 -1.093 . . . . 0.0 110.361 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.4 -31.8 37.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.247 -0.908 . . . . 0.0 109.925 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' ILE . . . . . . . . . . . . . 68.9 mt -71.84 -54.49 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.361 -0.837 . . . . 0.0 109.653 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' LEU . . . . . 0.74 HD11 HG13 ' A' ' 739' ' ' VAL . 24.1 tp -62.01 -41.28 97.89 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.322 -0.861 . . . . 0.0 109.487 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' GLU . . . . . 0.534 ' HA ' ' CE2' ' A' ' 796' ' ' PHE . 0.1 OUTLIER -57.71 -40.0 78.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.223 -0.923 . . . . 0.0 109.61 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -60.79 -48.32 82.34 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -58.35 -43.14 88.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.582 -0.698 . . . . 0.0 109.954 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' PHE . . . . . 0.761 ' CE2' HD12 ' A' ' 792' ' ' LEU . 46.9 t80 -59.04 -63.37 1.33 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.379 -0.825 . . . . 0.0 110.376 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' PHE . . . . . 0.619 ' HA ' HD11 ' A' ' 824' ' ' ILE . 14.6 m-85 -46.51 -46.32 19.07 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.615 -0.678 . . . . 0.0 111.146 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 3.8 m -58.38 -59.2 5.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.242 -0.911 . . . . 0.0 109.954 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 735' ' ' ILE . 4.8 tppp? -47.28 -57.34 5.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.52 -0.738 . . . . 0.0 110.864 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 821' ' ' PHE . 31.6 pt -61.36 -41.24 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 0.0 110.131 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 824' ' ' ILE . 6.5 mtmt -51.55 -30.52 20.92 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.103 -0.998 . . . . 0.0 110.002 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.56 -27.3 24.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.504 -0.748 . . . . 0.0 110.61 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ALA . . . . . 0.487 ' HB3' ' HG ' ' A' ' 829' ' ' LEU . . . -89.19 16.33 7.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 0.0 110.819 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 720' ' ' LYS . . . 53.23 35.4 49.82 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 827' ' ' ALA . 77.4 mt -95.07 -135.01 0.2 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.296 -1.12 . . . . 0.0 109.889 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.539 HG13 HD12 ' A' ' 824' ' ' ILE . 2.2 mp 61.27 143.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.028 -1.045 . . . . 0.0 110.668 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -163.79 -45.31 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.241 -0.912 . . . . 0.0 110.149 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.338 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' MIB . . . . . 0.938 ' CE2' ' HB2' ' A' ' 757' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_