data_1wum_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 1wum _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 2.294 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.24 175.57 5.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -1.153 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -106.95 57.46 0.64 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.945 . . . . 0.0 110.406 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 6.7 mmt -125.04 150.39 46.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.903 . . . . 0.0 110.503 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.92 30.97 1.15 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 0.0 110.489 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . 0.42 ' HA ' ' CA ' ' A' ' 828' ' ' GLY . 1.4 tmtm? -167.6 70.93 0.1 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.193 -0.942 . . . . 0.0 110.593 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.04 63.31 0.51 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 110.46 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . 0.4 ' HG3' ' HA ' ' A' ' 829' ' ' LEU . 71.9 Cg_endo -77.59 57.88 6.15 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.567 1.298 . . . . 0.0 109.944 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -84.18 -65.96 0.95 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.345 -0.847 . . . . 0.0 110.696 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.03 141.16 29.88 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.593 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.43 -42.82 1.69 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.63 1.332 . . . . 0.0 110.281 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -54.72 -42.66 71.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.258 -0.901 . . . . 0.0 109.826 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -72.13 -53.23 13.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.337 -0.852 . . . . 0.0 110.013 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' LEU . . . . . 0.401 ' HA ' ' HB ' ' A' ' 731' ' ' THR . 53.8 tp -60.37 -27.92 67.79 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.247 -0.908 . . . . 0.0 110.11 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . 0.485 ' CE1' ' HG2' ' A' ' 780' ' ' ARG . 10.5 t80 -51.96 -71.93 0.06 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.908 . . . . 0.0 110.129 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -29.51 70.76 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.291 -0.881 . . . . 0.0 110.147 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' A' ' 728' ' ' LEU . 51.9 m -53.16 -47.61 68.64 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.067 -1.021 . . . . 0.0 109.444 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' LEU . . . . . 0.436 ' CD2' ' CG ' ' A' ' 788' ' ' PHE . 79.4 mt -71.16 -41.54 70.28 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.466 -0.772 . . . . 0.0 109.151 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 737' ' ' GLN . 8.0 tttt -50.55 -43.15 56.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 109.963 178.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -45.4 84.65 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.562 -0.711 . . . . 0.0 109.82 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 735' ' ' ILE . . . . . 0.4 ' HA ' ' HE3' ' A' ' 823' ' ' LYS . 92.4 mt -60.7 -59.14 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.348 -0.845 . . . . 0.0 109.64 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 9.0 tp -55.42 -43.42 75.28 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.503 -0.748 . . . . 0.0 109.935 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 733' ' ' LYS . 1.8 mm-40 -54.87 -41.65 71.11 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.28 -0.888 . . . . 0.0 109.818 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -46.42 38.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.36 -0.837 . . . . 0.0 109.904 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' VAL . . . . . 0.413 ' HA ' HD11 ' A' ' 816' ' ' LEU . 69.7 t -53.88 -31.58 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.307 -0.871 . . . . 0.0 109.901 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . 0.419 ' CG ' ' HE3' ' A' ' 749' ' ' MET . 9.3 ttpt -79.02 -39.9 32.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.393 -0.817 . . . . 0.0 110.086 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 6.4 t -82.46 -12.56 57.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.293 -0.88 . . . . 0.0 110.73 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' HIS . . . . . 0.417 ' CG ' HD12 ' A' ' 816' ' ' LEU . 3.4 t-80 -60.13 141.95 55.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.979 . . . . 0.0 110.599 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.404 ' O ' ' NE1' ' A' ' 746' ' ' TRP . 2.8 tm0? -53.02 -38.72 62.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 0.0 109.889 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' A' ' 812' ' ' CYS . 0.0 OUTLIER -93.67 83.8 4.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.412 -0.805 . . . . 0.0 110.307 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 749' ' ' MET . . . -166.69 32.98 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.302 -0.874 . . . . 0.0 110.45 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' TRP . . . . . 0.527 ' N ' ' CD ' ' A' ' 747' ' ' PRO . 0.0 OUTLIER -84.77 -50.19 0.58 Allowed Pre-proline 0 N--CA 1.504 2.237 0 O-C-N 121.299 -0.876 . . . . 0.0 110.866 179.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 746' ' ' TRP . 31.2 Cg_exo -61.6 -15.3 40.78 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 O-C-N 123.738 1.388 . . . . 0.0 110.647 -175.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.5 -27.94 13.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.405 -0.809 . . . . 0.0 108.957 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' MET . . . . . 0.426 ' HA ' ' CE ' ' A' ' 749' ' ' MET . 0.6 OUTLIER -58.65 -50.04 75.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.398 -0.814 . . . . 0.0 109.455 178.335 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . 0.436 ' HG2' ' HA1' ' A' ' 201' ' ' NP2 . 0.8 OUTLIER -95.39 133.16 26.33 Favored Pre-proline 0 N--CA 1.489 1.505 0 O-C-N 121.555 -0.715 . . . . 0.0 109.685 178.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.77 126.12 15.45 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.39 1.206 . . . . 0.0 109.992 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . 0.429 HG11 ' CR1' ' A' ' 201' ' ' NP2 . 34.5 t -78.87 121.3 31.69 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.509 -0.744 . . . . 0.0 109.803 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -168.21 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.496 -0.752 . . . . 0.0 110.1 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -106.13 24.94 11.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.131 -0.981 . . . . 0.0 109.957 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 70.2 p -138.05 -53.96 0.64 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.364 -0.835 . . . . 0.0 110.65 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . 0.405 ' OE1' ' HE1' ' A' ' 201' ' ' NP2 . 10.0 pt-20 -48.84 -23.04 0.94 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.222 -0.923 . . . . 0.0 111.129 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 759' ' ' GLY . . . -95.07 147.7 33.46 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.014 -1.054 . . . . 0.0 110.427 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -59.48 82.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 123.665 1.35 . . . . 0.0 109.899 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 757' ' ' ALA . . . 62.23 110.16 0.01 OUTLIER Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.701 -1.76 . . . . 0.0 108.701 -178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 760' ' ' TYR . 20.5 t80 -121.15 -53.47 2.04 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.161 -1.199 . . . . 0.0 110.712 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 761' ' ' TYR . 15.9 t80 -55.45 -19.22 8.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 110.849 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -90.84 -65.45 1.01 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.181 -0.949 . . . . 0.0 110.995 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 35.8 m -63.78 -28.48 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.135 -0.978 . . . . 0.0 111.034 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' ILE . . . . . 0.428 HD12 HG21 ' A' ' 764' ' ' ILE . 50.6 mm -96.57 117.19 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.048 -1.032 . . . . 0.0 110.751 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.48 ' HB3' ' CE2' ' A' ' 766' ' ' PHE . 0.0 OUTLIER -97.46 -19.21 18.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.677 -0.639 . . . . 0.0 110.119 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 765' ' ' ARG . 47.8 m-85 -133.0 75.22 72.5 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 109.781 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.5 138.54 31.14 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 O-C-N 123.75 1.395 . . . . 0.0 110.893 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' MET . . . . . . . . . . . . . 2.4 tpt -159.86 133.72 7.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -0.892 . . . . 0.0 110.246 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.53 156.4 44.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -0.901 . . . . 0.0 110.429 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.26 -26.18 60.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.901 . . . . 0.0 110.205 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -30.33 65.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -0.859 . . . . 0.0 110.93 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 94.1 m -100.53 -26.83 13.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.062 -1.024 . . . . 0.0 110.378 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' MET . . . . . 0.437 ' CE ' HD23 ' A' ' 792' ' ' LEU . 3.6 mmm -59.36 -65.76 0.62 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.384 -0.823 . . . . 0.0 110.51 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' SER . . . . . . . . . . . . . 64.4 p -53.25 -32.86 50.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.138 -0.976 . . . . 0.0 110.01 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.59 -35.22 77.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.257 -0.902 . . . . 0.0 109.767 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.56 -42.31 16.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.389 -0.82 . . . . 0.0 109.869 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.43 -46.86 66.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.386 -0.822 . . . . 0.0 110.16 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -50.13 -32.33 15.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 0.0 110.888 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -98.54 21.84 10.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.952 . . . . 0.0 110.57 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . 0.485 ' HG2' ' CE1' ' A' ' 729' ' ' TYR . 29.8 mtt180 52.97 52.23 14.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.933 . . . . 0.0 110.386 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -88.28 -28.64 20.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 0.0 110.446 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -101.96 98.32 8.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -0.865 . . . . 0.0 110.406 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 25.3 m -135.27 59.4 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.3 -0.875 . . . . 0.0 110.429 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' SER . . . . . 0.419 ' CB ' HD13 ' A' ' 787' ' ' LEU . 27.8 t -146.67 -84.52 0.11 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.134 -0.979 . . . . 0.0 110.493 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 829' ' ' LEU . 6.7 ttmm -179.25 -73.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . 0.436 ' O ' ' CB ' ' A' ' 790' ' ' ALA . 27.6 ttpt -68.59 -17.78 64.2 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.448 -0.782 . . . . 0.0 109.633 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' A' ' 784' ' ' SER . 6.4 mt -57.5 -65.24 0.66 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.07 -1.018 . . . . 0.0 109.822 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' PHE . . . . . 0.436 ' CG ' ' CD2' ' A' ' 732' ' ' LEU . 66.6 t80 -68.62 -40.79 80.2 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.403 -0.81 . . . . 0.0 110.29 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' MET . . . . . 0.421 ' CE ' HD13 ' A' ' 824' ' ' ILE . 0.0 OUTLIER -60.88 -35.93 77.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -0.954 . . . . 0.0 110.235 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 786' ' ' LYS . . . -68.49 -48.49 64.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.905 . . . . 0.0 110.172 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.9 -59.01 5.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.274 -0.891 . . . . 0.0 110.444 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' LEU . . . . . 0.534 ' CD1' ' CE2' ' A' ' 796' ' ' PHE . 0.2 OUTLIER -49.64 -52.78 28.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.2 -0.937 . . . . 0.0 110.337 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -56.19 -42.68 77.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.133 -0.979 . . . . 0.0 109.262 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 798' ' ' ASN . 0.3 OUTLIER -52.79 -41.5 64.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.386 -0.821 . . . . 0.0 110.174 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 46.6 t -65.55 -51.64 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.193 -0.942 . . . . 0.0 110.839 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.534 ' CE2' ' CD1' ' A' ' 792' ' ' LEU . 15.4 m-30 -70.52 -61.24 1.84 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.04 -1.038 . . . . 0.0 110.946 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' THR . . . . . . . . . . . . . 4.6 m -49.62 -50.81 41.41 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.352 -0.843 . . . . 0.0 111.22 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 794' ' ' ARG . 2.4 m120 -65.06 -37.75 88.58 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.812 -1.18 . . . . 0.0 110.283 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' CYS . . . . . 0.476 ' O ' ' CD2' ' A' ' 802' ' ' TYR . 41.6 t -52.97 -65.29 0.58 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.07 -1.019 . . . . 0.0 109.944 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -48.12 -45.08 32.56 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.868 0.842 . . . . 0.0 110.049 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -47.68 -46.37 29.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.913 -0.492 . . . . 0.0 111.464 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 799' ' ' CYS . 1.0 OUTLIER -83.44 -41.24 18.3 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.824 -1.173 . . . . 0.0 110.807 -178.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' ASN . . . . . 0.436 ' N ' ' CG ' ' A' ' 802' ' ' TYR . 0.1 OUTLIER -89.05 112.65 52.27 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 110.6 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 806' ' ' GLU . 42.7 Cg_exo -52.28 148.9 23.96 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.474 1.249 . . . . 0.0 110.457 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -66.69 66.67 0.53 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.589 1.31 . . . . 0.0 110.6 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 804' ' ' PRO . 8.3 mm-40 -140.84 -41.11 0.4 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.212 -0.93 . . . . 0.0 110.484 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 45.2 t -73.56 -175.11 1.9 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.269 -0.894 . . . . 0.0 110.796 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.83 -21.68 29.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.375 -0.828 . . . . 0.0 110.035 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' TYR . . . . . 0.544 ' CE2' ' OC2' ' A' ' 201' ' ' NP2 . 68.0 m-85 -54.61 -39.07 67.53 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.325 -0.859 . . . . 0.0 110.019 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -52.9 -51.07 62.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.261 -0.899 . . . . 0.0 110.125 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -61.76 -42.45 99.0 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.438 -0.789 . . . . 0.0 110.327 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 744' ' ' SER . 40.0 t -52.6 -53.29 48.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 817' ' ' GLU . . . -58.92 -50.07 75.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.0 110.246 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -42.95 80.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 110.385 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.55 -61.59 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.264 -0.898 . . . . 0.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' LEU . . . . . 0.417 HD12 ' CG ' ' A' ' 742' ' ' HIS . 56.4 tp -58.29 -28.15 64.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 813' ' ' ALA . 39.6 tt0 -70.17 -34.89 73.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.207 -0.933 . . . . 0.0 109.732 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -51.59 45.52 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.34 -0.85 . . . . 0.0 109.507 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -55.69 -44.86 77.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 109.502 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' PHE . . . . . 0.482 ' CE1' HG22 ' A' ' 824' ' ' ILE . 4.6 t80 -53.48 -55.83 22.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.368 -0.832 . . . . 0.0 109.937 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' PHE . . . . . 0.417 ' O ' ' CG1' ' A' ' 824' ' ' ILE . 3.3 m-85 -52.6 -44.02 65.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 0.0 110.267 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -41.07 96.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.082 -1.011 . . . . 0.0 110.043 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 735' ' ' ILE . 0.0 OUTLIER -58.58 -57.75 11.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.156 -0.965 . . . . 0.0 110.352 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . 0.482 HG22 ' CE1' ' A' ' 820' ' ' PHE . 24.3 pt -54.58 -33.09 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.021 -1.049 . . . . 0.0 109.691 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . 0.436 ' N ' HG13 ' A' ' 824' ' ' ILE . 0.4 OUTLIER -62.5 -33.33 74.66 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 178.208 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.59 -36.38 32.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.456 -0.777 . . . . 0.0 110.268 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ALA . . . . . . . . . . . . . . . -81.17 -36.52 30.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 110.474 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' A' ' 720' ' ' LYS . . . 114.24 12.81 10.46 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 824' ' ' ILE . 3.8 mm? -70.01 -110.74 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.042 -1.27 . . . . 0.0 109.626 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' A' ' 829' ' ' LEU . 36.0 mt 59.75 146.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 120.571 -1.331 . . . . 0.0 110.781 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -139.36 -65.73 0.47 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.006 -1.059 . . . . 0.0 110.398 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.635 0 O-C-N 121.473 -0.767 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' NP2 . . . . . 0.554 ' OC1' ' CG ' ' A' ' 201' ' ' NP2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.24 175.57 5.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -1.153 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 717' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -106.95 57.46 0.64 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.945 . . . . 0.0 110.406 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 6.7 mmt -125.04 150.39 46.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.903 . . . . 0.0 110.503 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.92 30.97 1.15 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 0.0 110.489 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 720' ' ' LYS . . . . . 0.439 ' HA ' ' CA ' ' A' ' 828' ' ' GLY . 1.4 tmtm? -167.6 70.93 0.1 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.193 -0.942 . . . . 0.0 110.593 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.04 63.31 0.51 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 110.46 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 722' ' ' PRO . . . . . 0.802 ' HB2' HD13 ' A' ' 728' ' ' LEU . 71.9 Cg_endo -77.59 57.88 6.15 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.567 1.298 . . . . 0.0 109.944 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 723' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -84.18 -65.96 0.95 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.345 -0.847 . . . . 0.0 110.696 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.03 141.16 29.88 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.593 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.43 -42.82 1.69 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.63 1.332 . . . . 0.0 110.281 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 726' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 729' ' ' TYR . 7.2 m-20 -54.72 -42.66 71.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.258 -0.901 . . . . 0.0 109.826 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -72.13 -53.23 13.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.337 -0.852 . . . . 0.0 110.013 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 728' ' ' LEU . . . . . 0.802 HD13 ' HB2' ' A' ' 722' ' ' PRO . 53.8 tp -60.37 -27.92 67.79 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.247 -0.908 . . . . 0.0 110.11 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 729' ' ' TYR . . . . . 0.497 ' CE1' ' HG2' ' A' ' 780' ' ' ARG . 10.5 t80 -51.96 -71.93 0.06 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.908 . . . . 0.0 110.129 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 730' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 733' ' ' LYS . 0.1 OUTLIER -63.55 -29.51 70.76 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.291 -0.881 . . . . 0.0 110.147 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 731' ' ' THR . . . . . 0.583 HG23 ' HB1' ' A' ' 827' ' ' ALA . 51.9 m -53.16 -47.61 68.64 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.067 -1.021 . . . . 0.0 109.444 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 732' ' ' LEU . . . . . 0.976 HD22 ' CG ' ' A' ' 788' ' ' PHE . 79.4 mt -71.16 -41.54 70.28 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.466 -0.772 . . . . 0.0 109.151 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 733' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 730' ' ' SER . 8.0 tttt -50.55 -43.15 56.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 109.963 178.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -45.4 84.65 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.562 -0.711 . . . . 0.0 109.82 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 735' ' ' ILE . . . . . 0.658 ' O ' HG23 ' A' ' 739' ' ' VAL . 92.4 mt -60.7 -59.14 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.348 -0.845 . . . . 0.0 109.64 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 736' ' ' LEU . 9.0 tp -55.42 -43.42 75.28 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.503 -0.748 . . . . 0.0 109.935 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 737' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 733' ' ' LYS . 1.8 mm-40 -54.87 -41.65 71.11 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.28 -0.888 . . . . 0.0 109.818 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -46.42 38.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.36 -0.837 . . . . 0.0 109.904 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 739' ' ' VAL . . . . . 0.854 HG13 HD21 ' A' ' 816' ' ' LEU . 69.7 t -53.88 -31.58 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.307 -0.871 . . . . 0.0 109.901 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -79.02 -39.9 32.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.393 -0.817 . . . . 0.0 110.086 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 6.4 t -82.46 -12.56 57.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.293 -0.88 . . . . 0.0 110.73 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' HIS . . . . . 0.494 ' CG ' HD13 ' A' ' 816' ' ' LEU . 3.4 t-80 -60.13 141.95 55.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.979 . . . . 0.0 110.599 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.404 ' O ' ' NE1' ' A' ' 746' ' ' TRP . 2.8 tm0? -53.02 -38.72 62.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 0.0 109.889 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 744' ' ' SER . . . . . 0.71 ' O ' HD22 ' A' ' 816' ' ' LEU . 0.0 OUTLIER -93.67 83.8 4.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.412 -0.805 . . . . 0.0 110.307 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 745' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 749' ' ' MET . . . -166.69 32.98 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.302 -0.874 . . . . 0.0 110.45 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 746' ' ' TRP . . . . . 0.542 ' CD2' ' HD3' ' A' ' 747' ' ' PRO . 0.0 OUTLIER -84.77 -50.19 0.58 Allowed Pre-proline 0 N--CA 1.504 2.237 0 O-C-N 121.299 -0.876 . . . . 0.0 110.866 179.088 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 747' ' ' PRO . . . . . 0.542 ' HD3' ' CD2' ' A' ' 746' ' ' TRP . 31.2 Cg_exo -61.6 -15.3 40.78 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 O-C-N 123.738 1.388 . . . . 0.0 110.647 -175.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 748' ' ' PHE . . . . . 0.727 ' HB2' HD12 ' A' ' 770' ' ' LEU . 2.2 m-85 -100.5 -27.94 13.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.405 -0.809 . . . . 0.0 108.957 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 749' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 745' ' ' ALA . 0.6 OUTLIER -58.65 -50.04 75.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.398 -0.814 . . . . 0.0 109.455 178.335 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 750' ' ' GLU . . . . . 0.429 ' HG2' ' HA2' ' A' ' 201' ' ' NP2 . 0.8 OUTLIER -95.39 133.16 26.33 Favored Pre-proline 0 N--CA 1.489 1.505 0 O-C-N 121.555 -0.715 . . . . 0.0 109.685 178.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.77 126.12 15.45 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.39 1.206 . . . . 0.0 109.992 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 34.5 t -78.87 121.3 31.69 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.509 -0.744 . . . . 0.0 109.803 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -168.21 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.496 -0.752 . . . . 0.0 110.1 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 754' ' ' ARG . . . . . 0.54 ' HG3' HG23 ' A' ' 755' ' ' THR . 17.2 ptm180 -106.13 24.94 11.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.131 -0.981 . . . . 0.0 109.957 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 755' ' ' THR . . . . . 0.54 HG23 ' HG3' ' A' ' 754' ' ' ARG . 70.2 p -138.05 -53.96 0.64 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.364 -0.835 . . . . 0.0 110.65 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.418 ' OE1' ' HE1' ' A' ' 201' ' ' NP2 . 10.0 pt-20 -48.84 -23.04 0.94 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.222 -0.923 . . . . 0.0 111.129 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.659 ' HB2' ' HR1' ' A' ' 201' ' ' NP2 . . . -95.07 147.7 33.46 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.014 -1.054 . . . . 0.0 110.427 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -59.48 82.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 123.665 1.35 . . . . 0.0 109.899 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 759' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 757' ' ' ALA . . . 62.23 110.16 0.01 OUTLIER Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.701 -1.76 . . . . 0.0 108.701 -178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 760' ' ' TYR . . . . . 0.407 ' C ' ' CD1' ' A' ' 760' ' ' TYR . 20.5 t80 -121.15 -53.47 2.04 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.161 -1.199 . . . . 0.0 110.712 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 761' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 761' ' ' TYR . 15.9 t80 -55.45 -19.22 8.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 110.849 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -90.84 -65.45 1.01 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.181 -0.949 . . . . 0.0 110.995 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' VAL . . . . . 0.783 HG23 HG12 ' A' ' 764' ' ' ILE . 35.8 m -63.78 -28.48 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.135 -0.978 . . . . 0.0 111.034 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 764' ' ' ILE . . . . . 0.783 HG12 HG23 ' A' ' 763' ' ' VAL . 50.6 mm -96.57 117.19 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.048 -1.032 . . . . 0.0 110.751 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 766' ' ' PHE . 0.0 OUTLIER -97.46 -19.21 18.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.677 -0.639 . . . . 0.0 110.119 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 766' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 765' ' ' ARG . 47.8 m-85 -133.0 75.22 72.5 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 109.781 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 767' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.5 138.54 31.14 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 O-C-N 123.75 1.395 . . . . 0.0 110.893 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 768' ' ' MET . . . . . . . . . . . . . 2.4 tpt -159.86 133.72 7.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -0.892 . . . . 0.0 110.246 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.53 156.4 44.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -0.901 . . . . 0.0 110.429 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.727 HD12 ' HB2' ' A' ' 748' ' ' PHE . 15.0 mt -57.26 -26.18 60.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.901 . . . . 0.0 110.205 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 771' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -30.33 65.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -0.859 . . . . 0.0 110.93 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 94.1 m -100.53 -26.83 13.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.062 -1.024 . . . . 0.0 110.378 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 773' ' ' MET . . . . . 0.442 ' HB2' ' HA ' ' A' ' 770' ' ' LEU . 3.6 mmm -59.36 -65.76 0.62 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.384 -0.823 . . . . 0.0 110.51 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 774' ' ' SER . . . . . . . . . . . . . 64.4 p -53.25 -32.86 50.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.138 -0.976 . . . . 0.0 110.01 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.59 -35.22 77.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.257 -0.902 . . . . 0.0 109.767 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 776' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.56 -42.31 16.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.389 -0.82 . . . . 0.0 109.869 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 777' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 777' ' ' LEU . 1.2 tm? -52.43 -46.86 66.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.386 -0.822 . . . . 0.0 110.16 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 778' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -50.13 -32.33 15.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 0.0 110.888 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -98.54 21.84 10.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.952 . . . . 0.0 110.57 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 780' ' ' ARG . . . . . 0.497 ' HG2' ' CE1' ' A' ' 729' ' ' TYR . 29.8 mtt180 52.97 52.23 14.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.933 . . . . 0.0 110.386 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 781' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -88.28 -28.64 20.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 0.0 110.446 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 782' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -101.96 98.32 8.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -0.865 . . . . 0.0 110.406 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 783' ' ' VAL . . . . . 0.705 ' HA ' HD23 ' A' ' 728' ' ' LEU . 25.3 m -135.27 59.4 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.3 -0.875 . . . . 0.0 110.429 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 784' ' ' SER . . . . . 0.462 ' HB3' HD12 ' A' ' 787' ' ' LEU . 27.8 t -146.67 -84.52 0.11 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.134 -0.979 . . . . 0.0 110.493 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 785' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 829' ' ' LEU . 6.7 ttmm -179.25 -73.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 786' ' ' LYS . . . . . 0.436 ' O ' ' CB ' ' A' ' 790' ' ' ALA . 27.6 ttpt -68.59 -17.78 64.2 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.448 -0.782 . . . . 0.0 109.633 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 787' ' ' LEU . 6.4 mt -57.5 -65.24 0.66 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.07 -1.018 . . . . 0.0 109.822 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 788' ' ' PHE . . . . . 0.976 ' CG ' HD22 ' A' ' 732' ' ' LEU . 66.6 t80 -68.62 -40.79 80.2 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.403 -0.81 . . . . 0.0 110.29 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 789' ' ' MET . . . . . 0.669 ' HE2' HD13 ' A' ' 824' ' ' ILE . 0.0 OUTLIER -60.88 -35.93 77.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -0.954 . . . . 0.0 110.235 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 790' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 786' ' ' LYS . . . -68.49 -48.49 64.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.905 . . . . 0.0 110.172 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 791' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.9 -59.01 5.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.274 -0.891 . . . . 0.0 110.444 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' LEU . . . . . 0.605 HD12 ' CE2' ' A' ' 796' ' ' PHE . 0.2 OUTLIER -49.64 -52.78 28.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.2 -0.937 . . . . 0.0 110.337 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 793' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -56.19 -42.68 77.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.133 -0.979 . . . . 0.0 109.262 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -41.5 64.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.386 -0.821 . . . . 0.0 110.174 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 795' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 799' ' ' CYS . 46.6 t -65.55 -51.64 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.193 -0.942 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.605 ' CE2' HD12 ' A' ' 792' ' ' LEU . 15.4 m-30 -70.52 -61.24 1.84 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.04 -1.038 . . . . 0.0 110.946 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 797' ' ' THR . . . . . . . . . . . . . 4.6 m -49.62 -50.81 41.41 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.352 -0.843 . . . . 0.0 111.22 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' ASN . . . . . 0.704 ' HB3' HD12 ' A' ' 764' ' ' ILE . 2.4 m120 -65.06 -37.75 88.58 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.812 -1.18 . . . . 0.0 110.283 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 799' ' ' CYS . . . . . 0.52 ' HA ' ' CE2' ' A' ' 802' ' ' TYR . 41.6 t -52.97 -65.29 0.58 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.07 -1.019 . . . . 0.0 109.944 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 800' ' ' LYS . . . . . 0.448 ' HE3' ' HB1' ' A' ' 813' ' ' ALA . 36.4 mttt -48.12 -45.08 32.56 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.868 0.842 . . . . 0.0 110.049 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -47.68 -46.37 29.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.913 -0.492 . . . . 0.0 111.464 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 0.52 ' CE2' ' HA ' ' A' ' 799' ' ' CYS . 1.0 OUTLIER -83.44 -41.24 18.3 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.824 -1.173 . . . . 0.0 110.807 -178.51 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 803' ' ' ASN . . . . . 0.436 ' N ' ' CG ' ' A' ' 802' ' ' TYR . 0.1 OUTLIER -89.05 112.65 52.27 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 110.6 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 804' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 805' ' ' PRO . 42.7 Cg_exo -52.28 148.9 23.96 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.474 1.249 . . . . 0.0 110.457 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 805' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 804' ' ' PRO . 12.3 Cg_exo -66.69 66.67 0.53 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.589 1.31 . . . . 0.0 110.6 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 806' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 804' ' ' PRO . 8.3 mm-40 -140.84 -41.11 0.4 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.212 -0.93 . . . . 0.0 110.484 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 807' ' ' SER . . . . . 0.499 ' HG ' ' HD2' ' A' ' 809' ' ' TYR . 45.2 t -73.56 -175.11 1.9 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.269 -0.894 . . . . 0.0 110.796 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.83 -21.68 29.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.375 -0.828 . . . . 0.0 110.035 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 809' ' ' TYR . . . . . 0.544 ' CE2' ' OC2' ' A' ' 201' ' ' NP2 . 68.0 m-85 -54.61 -39.07 67.53 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.325 -0.859 . . . . 0.0 110.019 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -52.9 -51.07 62.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.261 -0.899 . . . . 0.0 110.125 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -61.76 -42.45 99.0 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.438 -0.789 . . . . 0.0 110.327 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' CYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 744' ' ' SER . 40.0 t -52.6 -53.29 48.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ALA . . . . . 0.448 ' HB1' ' HE3' ' A' ' 800' ' ' LYS . . . -58.92 -50.07 75.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.0 110.246 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 814' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -42.95 80.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 110.385 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.55 -61.59 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.264 -0.898 . . . . 0.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 816' ' ' LEU . . . . . 0.854 HD21 HG13 ' A' ' 739' ' ' VAL . 56.4 tp -58.29 -28.15 64.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 817' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 813' ' ' ALA . 39.6 tt0 -70.17 -34.89 73.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.207 -0.933 . . . . 0.0 109.732 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -51.59 45.52 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.34 -0.85 . . . . 0.0 109.507 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 819' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -55.69 -44.86 77.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 109.502 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 792' ' ' LEU . 4.6 t80 -53.48 -55.83 22.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.368 -0.832 . . . . 0.0 109.937 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 821' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 824' ' ' ILE . 3.3 m-85 -52.6 -44.02 65.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 0.0 110.267 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -41.07 96.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.082 -1.011 . . . . 0.0 110.043 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -57.75 11.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.156 -0.965 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.669 HD13 ' HE2' ' A' ' 789' ' ' MET . 24.3 pt -54.58 -33.09 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.021 -1.049 . . . . 0.0 109.691 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' LYS . . . . . 0.859 ' HA ' HD11 ' A' ' 830' ' ' ILE . 0.4 OUTLIER -62.5 -33.33 74.66 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 178.208 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 826' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.59 -36.38 32.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.456 -0.777 . . . . 0.0 110.268 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ALA . . . . . 0.583 ' HB1' HG23 ' A' ' 731' ' ' THR . . . -81.17 -36.52 30.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 110.474 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 828' ' ' GLY . . . . . 0.439 ' CA ' ' HA ' ' A' ' 720' ' ' LYS . . . 114.24 12.81 10.46 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 728' ' ' LEU . 3.8 mm? -70.01 -110.74 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.042 -1.27 . . . . 0.0 109.626 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.859 HD11 ' HA ' ' A' ' 825' ' ' LYS . 36.0 mt 59.75 146.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 120.571 -1.331 . . . . 0.0 110.781 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -139.36 -65.73 0.47 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.006 -1.059 . . . . 0.0 110.398 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.635 0 O-C-N 121.473 -0.767 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' NP2 . . . . . 0.659 ' HR1' ' HB2' ' A' ' 757' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.24 175.57 5.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -1.153 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -106.95 57.46 0.64 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.945 . . . . 0.0 110.406 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 6.7 mmt -125.04 150.39 46.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.903 . . . . 0.0 110.503 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.92 30.97 1.15 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 0.0 110.489 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . 0.439 ' HA ' ' CA ' ' A' ' 828' ' ' GLY . 1.4 tmtm? -167.6 70.93 0.1 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.193 -0.942 . . . . 0.0 110.593 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.04 63.31 0.51 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 110.46 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . 0.802 ' HB2' HD13 ' A' ' 728' ' ' LEU . 71.9 Cg_endo -77.59 57.88 6.15 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.567 1.298 . . . . 0.0 109.944 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -84.18 -65.96 0.95 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.345 -0.847 . . . . 0.0 110.696 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.03 141.16 29.88 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.593 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.43 -42.82 1.69 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.63 1.332 . . . . 0.0 110.281 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 729' ' ' TYR . 7.2 m-20 -54.72 -42.66 71.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.258 -0.901 . . . . 0.0 109.826 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -72.13 -53.23 13.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.337 -0.852 . . . . 0.0 110.013 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' LEU . . . . . 0.802 HD13 ' HB2' ' A' ' 722' ' ' PRO . 53.8 tp -60.37 -27.92 67.79 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.247 -0.908 . . . . 0.0 110.11 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . 0.497 ' CE1' ' HG2' ' A' ' 780' ' ' ARG . 10.5 t80 -51.96 -71.93 0.06 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.908 . . . . 0.0 110.129 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 733' ' ' LYS . 0.1 OUTLIER -63.55 -29.51 70.76 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.291 -0.881 . . . . 0.0 110.147 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . 0.583 HG23 ' HB1' ' A' ' 827' ' ' ALA . 51.9 m -53.16 -47.61 68.64 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.067 -1.021 . . . . 0.0 109.444 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' LEU . . . . . 0.976 HD22 ' CG ' ' A' ' 788' ' ' PHE . 79.4 mt -71.16 -41.54 70.28 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.466 -0.772 . . . . 0.0 109.151 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 730' ' ' SER . 8.0 tttt -50.55 -43.15 56.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 109.963 178.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -45.4 84.65 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.562 -0.711 . . . . 0.0 109.82 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 735' ' ' ILE . . . . . 0.658 ' O ' HG23 ' A' ' 739' ' ' VAL . 92.4 mt -60.7 -59.14 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.348 -0.845 . . . . 0.0 109.64 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 736' ' ' LEU . 9.0 tp -55.42 -43.42 75.28 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.503 -0.748 . . . . 0.0 109.935 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 733' ' ' LYS . 1.8 mm-40 -54.87 -41.65 71.11 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.28 -0.888 . . . . 0.0 109.818 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -46.42 38.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.36 -0.837 . . . . 0.0 109.904 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' VAL . . . . . 0.854 HG13 HD21 ' A' ' 816' ' ' LEU . 69.7 t -53.88 -31.58 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.307 -0.871 . . . . 0.0 109.901 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -79.02 -39.9 32.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.393 -0.817 . . . . 0.0 110.086 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 6.4 t -82.46 -12.56 57.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.293 -0.88 . . . . 0.0 110.73 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' HIS . . . . . 0.494 ' CG ' HD13 ' A' ' 816' ' ' LEU . 3.4 t-80 -60.13 141.95 55.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.979 . . . . 0.0 110.599 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.404 ' O ' ' NE1' ' A' ' 746' ' ' TRP . 2.8 tm0? -53.02 -38.72 62.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 0.0 109.889 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . 0.71 ' O ' HD22 ' A' ' 816' ' ' LEU . 0.0 OUTLIER -93.67 83.8 4.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.412 -0.805 . . . . 0.0 110.307 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 749' ' ' MET . . . -166.69 32.98 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.302 -0.874 . . . . 0.0 110.45 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' TRP . . . . . 0.542 ' CD2' ' HD3' ' A' ' 747' ' ' PRO . 0.0 OUTLIER -84.77 -50.19 0.58 Allowed Pre-proline 0 N--CA 1.504 2.237 0 O-C-N 121.299 -0.876 . . . . 0.0 110.866 179.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' PRO . . . . . 0.542 ' HD3' ' CD2' ' A' ' 746' ' ' TRP . 31.2 Cg_exo -61.6 -15.3 40.78 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 O-C-N 123.738 1.388 . . . . 0.0 110.647 -175.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' PHE . . . . . 0.727 ' HB2' HD12 ' A' ' 770' ' ' LEU . 2.2 m-85 -100.5 -27.94 13.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.405 -0.809 . . . . 0.0 108.957 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 745' ' ' ALA . 0.6 OUTLIER -58.65 -50.04 75.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.398 -0.814 . . . . 0.0 109.455 178.335 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . 0.429 ' HG2' ' HA2' ' A' ' 201' ' ' NP2 . 0.8 OUTLIER -95.39 133.16 26.33 Favored Pre-proline 0 N--CA 1.489 1.505 0 O-C-N 121.555 -0.715 . . . . 0.0 109.685 178.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.77 126.12 15.45 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.39 1.206 . . . . 0.0 109.992 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 34.5 t -78.87 121.3 31.69 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.509 -0.744 . . . . 0.0 109.803 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -168.21 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.496 -0.752 . . . . 0.0 110.1 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' ARG . . . . . 0.54 ' HG3' HG23 ' A' ' 755' ' ' THR . 17.2 ptm180 -106.13 24.94 11.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.131 -0.981 . . . . 0.0 109.957 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . 0.54 HG23 ' HG3' ' A' ' 754' ' ' ARG . 70.2 p -138.05 -53.96 0.64 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.364 -0.835 . . . . 0.0 110.65 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.418 ' OE1' ' HE1' ' A' ' 201' ' ' NP2 . 10.0 pt-20 -48.84 -23.04 0.94 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.222 -0.923 . . . . 0.0 111.129 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.659 ' HB2' ' HR1' ' A' ' 201' ' ' NP2 . . . -95.07 147.7 33.46 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.014 -1.054 . . . . 0.0 110.427 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -59.48 82.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 123.665 1.35 . . . . 0.0 109.899 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 757' ' ' ALA . . . 62.23 110.16 0.01 OUTLIER Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.701 -1.76 . . . . 0.0 108.701 -178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 760' ' ' TYR . 20.5 t80 -121.15 -53.47 2.04 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.161 -1.199 . . . . 0.0 110.712 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 761' ' ' TYR . 15.9 t80 -55.45 -19.22 8.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 110.849 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -90.84 -65.45 1.01 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.181 -0.949 . . . . 0.0 110.995 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . 0.783 HG23 HG12 ' A' ' 764' ' ' ILE . 35.8 m -63.78 -28.48 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.135 -0.978 . . . . 0.0 111.034 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' ILE . . . . . 0.783 HG12 HG23 ' A' ' 763' ' ' VAL . 50.6 mm -96.57 117.19 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.048 -1.032 . . . . 0.0 110.751 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 766' ' ' PHE . 0.0 OUTLIER -97.46 -19.21 18.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.677 -0.639 . . . . 0.0 110.119 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 765' ' ' ARG . 47.8 m-85 -133.0 75.22 72.5 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 109.781 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.5 138.54 31.14 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 O-C-N 123.75 1.395 . . . . 0.0 110.893 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' MET . . . . . . . . . . . . . 2.4 tpt -159.86 133.72 7.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -0.892 . . . . 0.0 110.246 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.53 156.4 44.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -0.901 . . . . 0.0 110.429 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.727 HD12 ' HB2' ' A' ' 748' ' ' PHE . 15.0 mt -57.26 -26.18 60.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.901 . . . . 0.0 110.205 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -30.33 65.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -0.859 . . . . 0.0 110.93 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 94.1 m -100.53 -26.83 13.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.062 -1.024 . . . . 0.0 110.378 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' MET . . . . . 0.442 ' HB2' ' HA ' ' A' ' 770' ' ' LEU . 3.6 mmm -59.36 -65.76 0.62 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.384 -0.823 . . . . 0.0 110.51 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' SER . . . . . . . . . . . . . 64.4 p -53.25 -32.86 50.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.138 -0.976 . . . . 0.0 110.01 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.59 -35.22 77.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.257 -0.902 . . . . 0.0 109.767 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.56 -42.31 16.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.389 -0.82 . . . . 0.0 109.869 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 777' ' ' LEU . 1.2 tm? -52.43 -46.86 66.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.386 -0.822 . . . . 0.0 110.16 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -50.13 -32.33 15.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 0.0 110.888 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -98.54 21.84 10.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.952 . . . . 0.0 110.57 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . 0.497 ' HG2' ' CE1' ' A' ' 729' ' ' TYR . 29.8 mtt180 52.97 52.23 14.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.933 . . . . 0.0 110.386 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -88.28 -28.64 20.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 0.0 110.446 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -101.96 98.32 8.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -0.865 . . . . 0.0 110.406 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . 0.705 ' HA ' HD23 ' A' ' 728' ' ' LEU . 25.3 m -135.27 59.4 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.3 -0.875 . . . . 0.0 110.429 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . 0.462 ' HB3' HD12 ' A' ' 787' ' ' LEU . 27.8 t -146.67 -84.52 0.11 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.134 -0.979 . . . . 0.0 110.493 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 829' ' ' LEU . 6.7 ttmm -179.25 -73.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . 0.436 ' O ' ' CB ' ' A' ' 790' ' ' ALA . 27.6 ttpt -68.59 -17.78 64.2 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.448 -0.782 . . . . 0.0 109.633 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 787' ' ' LEU . 6.4 mt -57.5 -65.24 0.66 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.07 -1.018 . . . . 0.0 109.822 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' PHE . . . . . 0.976 ' CG ' HD22 ' A' ' 732' ' ' LEU . 66.6 t80 -68.62 -40.79 80.2 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.403 -0.81 . . . . 0.0 110.29 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' MET . . . . . 0.669 ' HE2' HD13 ' A' ' 824' ' ' ILE . 0.0 OUTLIER -60.88 -35.93 77.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -0.954 . . . . 0.0 110.235 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 786' ' ' LYS . . . -68.49 -48.49 64.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.905 . . . . 0.0 110.172 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.9 -59.01 5.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.274 -0.891 . . . . 0.0 110.444 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' LEU . . . . . 0.605 HD12 ' CE2' ' A' ' 796' ' ' PHE . 0.2 OUTLIER -49.64 -52.78 28.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.2 -0.937 . . . . 0.0 110.337 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -56.19 -42.68 77.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.133 -0.979 . . . . 0.0 109.262 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -41.5 64.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.386 -0.821 . . . . 0.0 110.174 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 799' ' ' CYS . 46.6 t -65.55 -51.64 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.193 -0.942 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.605 ' CE2' HD12 ' A' ' 792' ' ' LEU . 15.4 m-30 -70.52 -61.24 1.84 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.04 -1.038 . . . . 0.0 110.946 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' THR . . . . . . . . . . . . . 4.6 m -49.62 -50.81 41.41 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.352 -0.843 . . . . 0.0 111.22 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . 0.704 ' HB3' HD12 ' A' ' 764' ' ' ILE . 2.4 m120 -65.06 -37.75 88.58 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.812 -1.18 . . . . 0.0 110.283 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' CYS . . . . . 0.52 ' HA ' ' CE2' ' A' ' 802' ' ' TYR . 41.6 t -52.97 -65.29 0.58 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.07 -1.019 . . . . 0.0 109.944 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . 0.448 ' HE3' ' HB1' ' A' ' 813' ' ' ALA . 36.4 mttt -48.12 -45.08 32.56 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.868 0.842 . . . . 0.0 110.049 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -47.68 -46.37 29.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.913 -0.492 . . . . 0.0 111.464 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 0.52 ' CE2' ' HA ' ' A' ' 799' ' ' CYS . 1.0 OUTLIER -83.44 -41.24 18.3 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.824 -1.173 . . . . 0.0 110.807 -178.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' ASN . . . . . 0.436 ' N ' ' CG ' ' A' ' 802' ' ' TYR . 0.1 OUTLIER -89.05 112.65 52.27 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 110.6 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 805' ' ' PRO . 42.7 Cg_exo -52.28 148.9 23.96 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.474 1.249 . . . . 0.0 110.457 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 804' ' ' PRO . 12.3 Cg_exo -66.69 66.67 0.53 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.589 1.31 . . . . 0.0 110.6 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 804' ' ' PRO . 8.3 mm-40 -140.84 -41.11 0.4 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.212 -0.93 . . . . 0.0 110.484 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . 0.499 ' HG ' ' HD2' ' A' ' 809' ' ' TYR . 45.2 t -73.56 -175.11 1.9 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.269 -0.894 . . . . 0.0 110.796 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.83 -21.68 29.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.375 -0.828 . . . . 0.0 110.035 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' TYR . . . . . 0.544 ' CE2' ' OC2' ' A' ' 201' ' ' NP2 . 68.0 m-85 -54.61 -39.07 67.53 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.325 -0.859 . . . . 0.0 110.019 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -52.9 -51.07 62.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.261 -0.899 . . . . 0.0 110.125 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -61.76 -42.45 99.0 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.438 -0.789 . . . . 0.0 110.327 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 744' ' ' SER . 40.0 t -52.6 -53.29 48.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . 0.448 ' HB1' ' HE3' ' A' ' 800' ' ' LYS . . . -58.92 -50.07 75.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.0 110.246 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -42.95 80.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 110.385 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.55 -61.59 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.264 -0.898 . . . . 0.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' LEU . . . . . 0.854 HD21 HG13 ' A' ' 739' ' ' VAL . 56.4 tp -58.29 -28.15 64.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 813' ' ' ALA . 39.6 tt0 -70.17 -34.89 73.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.207 -0.933 . . . . 0.0 109.732 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -51.59 45.52 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.34 -0.85 . . . . 0.0 109.507 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -55.69 -44.86 77.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 109.502 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 792' ' ' LEU . 4.6 t80 -53.48 -55.83 22.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.368 -0.832 . . . . 0.0 109.937 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 824' ' ' ILE . 3.3 m-85 -52.6 -44.02 65.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 0.0 110.267 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -41.07 96.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.082 -1.011 . . . . 0.0 110.043 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -57.75 11.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.156 -0.965 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.669 HD13 ' HE2' ' A' ' 789' ' ' MET . 24.3 pt -54.58 -33.09 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.021 -1.049 . . . . 0.0 109.691 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . 0.859 ' HA ' HD11 ' A' ' 830' ' ' ILE . 0.4 OUTLIER -62.5 -33.33 74.66 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 178.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.59 -36.38 32.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.456 -0.777 . . . . 0.0 110.268 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ALA . . . . . 0.583 ' HB1' HG23 ' A' ' 731' ' ' THR . . . -81.17 -36.52 30.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 110.474 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' GLY . . . . . 0.439 ' CA ' ' HA ' ' A' ' 720' ' ' LYS . . . 114.24 12.81 10.46 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 728' ' ' LEU . 3.8 mm? -70.01 -110.74 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.042 -1.27 . . . . 0.0 109.626 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.859 HD11 ' HA ' ' A' ' 825' ' ' LYS . 36.0 mt 59.75 146.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 120.571 -1.331 . . . . 0.0 110.781 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -139.36 -65.73 0.47 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.006 -1.059 . . . . 0.0 110.398 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.635 0 O-C-N 121.473 -0.767 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' NP2 . . . . . 0.659 ' HR1' ' HB2' ' A' ' 757' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_