data_2kwq_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 2kwq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -170.63 2.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.688 1.195 . . . . 0.0 111.016 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -158.3 144.02 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.597 1.159 . . . . 0.0 110.91 165.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.9 m -78.28 143.99 36.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 110.921 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.6 t -156.77 157.53 35.22 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.387 1.475 . . . . 0.0 110.428 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -75.72 135.62 40.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.546 0.688 . . . . 0.0 110.03 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.87 173.85 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 128.524 2.73 . . . . 0.0 109.766 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.2 p -149.74 136.27 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.603 0.761 . . . . 0.0 111.629 -169.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 94.4 m -105.32 118.73 37.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.517 1.127 . . . . 0.0 108.889 169.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.64 119.92 16.49 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -78.65 -17.44 55.98 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.112 0.965 . . . . 0.0 112.47 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 31.0 m -84.71 -38.61 19.51 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.881 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 63.7 m -102.96 -16.53 15.81 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 70.93 25.89 3.73 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.282 2.233 . . . . 0.0 114.236 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -102.19 155.7 18.04 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.516 1.126 . . . . 0.0 112.436 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.3 m -116.37 137.9 51.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.282 1.433 . . . . 0.0 109.452 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.87 179.4 9.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.769 1.628 . . . . 0.0 111.513 -176.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.33 -28.42 63.05 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.494 1.118 . . . . 0.0 113.211 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -152.27 160.13 31.79 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.624 1.969 . . . . 0.0 111.02 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.89 147.74 50.37 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.157 1.905 . . . . 0.0 109.249 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.11 156.01 37.25 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.368 1.08 . . . . 0.0 111.886 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.8 -35.34 70.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.36 -0.837 . . . . 0.0 111.823 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -66.63 -41.48 88.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.915 1.286 . . . . 0.0 112.256 171.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.65 -34.64 78.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.038 0.935 . . . . 0.0 112.366 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.5 t -71.76 -42.3 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 0.0 111.074 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 75.7 m -72.02 -42.41 66.39 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.263 1.025 . . . . 0.0 113.39 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -78.31 -12.56 60.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.252 1.021 . . . . 0.0 112.289 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.06 45.17 0.72 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.352 1.861 . . . . 0.0 113.287 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -60.4 155.77 17.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.327 1.451 . . . . 0.0 111.319 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -81.75 139.7 34.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.69 -0.631 . . . . 0.0 110.139 171.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.95 148.41 40.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.38 0.672 . . . . 0.0 112.812 175.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -109.56 123.39 49.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.705 1.202 . . . . 0.0 110.247 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -92.16 149.56 21.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.565 1.146 . . . . 0.0 112.582 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -167.29 173.38 8.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.544 1.938 . . . . 0.0 110.63 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -89.01 148.9 23.51 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.729 -1.232 . . . . 0.0 112.237 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.94 -176.87 25.94 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.087 1.803 . . . . 0.0 113.023 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.05 139.14 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.114 1.366 . . . . 0.0 110.004 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -115.3 151.36 34.7 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.929 1.292 . . . . 0.0 114.235 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -122.94 131.13 53.59 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.433 2.293 . . . . 0.0 109.489 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.06 138.14 40.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.696 1.199 . . . . 0.0 112.336 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -133.8 156.41 48.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.185 0.994 . . . . 0.0 113.585 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -138.64 142.68 39.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.147 1.779 . . . . 0.0 111.53 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.5 t -98.57 147.74 33.58 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.462 1.905 . . . . 0.0 110.703 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.76 -21.16 46.63 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 123.732 2.955 . . . . 0.0 116.041 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.0 p -76.92 -12.41 59.95 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 120.357 1.435 . . . . 0.0 113.972 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.87 -9.37 37.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.61 2.052 . . . . 0.0 114.627 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -62.76 152.15 36.61 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.602 1.701 . . . . 0.0 112.035 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -128.53 155.2 45.25 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.814 1.646 . . . . 0.0 112.184 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.6 t -160.0 173.19 16.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.277 1.431 . . . . 0.0 111.436 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 10.5 mt -140.66 144.84 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 127.196 2.199 . . . . 0.0 107.789 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.2 t -140.64 166.16 25.49 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.111 -0.993 . . . . 0.0 111.502 171.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 99.0 mt -88.08 -17.42 31.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.089 0.955 . . . . 0.0 111.944 166.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -92.4 165.63 12.96 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.231 1.412 . . . . 0.0 112.088 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -10.41 20.27 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.887 1.675 . . . . 0.0 115.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -165.03 136.83 3.37 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 126.325 1.85 . . . . 0.0 109.474 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.79 155.3 53.86 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.663 2.242 . . . . 0.0 110.675 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.25 -25.28 22.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -75.0 148.06 40.23 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 112.978 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -72.34 162.86 28.9 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.539 -0.726 . . . . 0.0 111.477 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.0 134.86 54.81 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 112.82 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.6 m -72.4 -16.58 61.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.312 1.045 . . . . 0.0 113.764 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 94.0 m -105.96 -40.23 5.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.877 1.271 . . . . 0.0 112.525 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.7 p -124.18 -12.58 7.38 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.75 -6.09 82.07 Favored Glycine 0 N--CA 1.474 1.219 0 N-CA-C 116.371 1.308 . . . . 0.0 116.371 164.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.29 -172.19 3.53 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.71 1.255 . . . . 0.0 113.045 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -126.38 100.49 6.29 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.353 1.461 . . . . 0.0 110.492 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -145.55 31.26 1.08 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.842 1.657 . . . . 0.0 112.963 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.58 131.31 50.55 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.696 -1.253 . . . . 0.0 112.368 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -116.52 136.73 52.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.582 1.953 . . . . 0.0 109.476 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.92 127.59 33.13 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.787 0.835 . . . . 0.0 110.379 176.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.0 166.72 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 125.725 1.61 . . . . 0.0 111.768 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.289 0 C-N-CA 124.784 1.183 . . . . 0.0 115.355 -173.427 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.35 161.15 28.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 113.197 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.37 141.11 20.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.662 0.744 . . . . 0.0 112.196 -171.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 23.6 p -76.77 143.91 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.933 1.293 . . . . 0.0 113.814 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 4.3 m -152.51 164.76 36.95 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.492 1.917 . . . . 0.0 111.176 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -76.63 142.07 40.8 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.768 -0.582 . . . . 0.0 109.836 166.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.57 158.23 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.729 2.011 . . . . 0.0 110.873 -174.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 146.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.259 1.423 . . . . 0.0 110.908 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 60.8 m -118.05 117.72 29.98 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.777 1.231 . . . . 0.0 108.847 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.7 t -74.08 118.11 16.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 167.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -77.48 -23.3 50.39 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.433 1.093 . . . . 0.0 111.762 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 33.2 m -75.84 -47.72 24.45 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.992 1.317 . . . . 0.0 110.893 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 83.9 m -93.72 -17.54 23.08 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.8 23.44 3.63 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.389 2.276 . . . . 0.0 114.713 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -97.87 157.3 16.16 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.167 -0.958 . . . . 0.0 113.151 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 23.5 m -115.86 139.01 50.62 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.208 1.803 . . . . 0.0 109.068 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.08 173.43 16.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.547 1.139 . . . . 0.0 112.625 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -67.71 -28.91 68.07 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.156 0.982 . . . . 0.0 112.969 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -164.99 154.52 11.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.656 1.982 . . . . 0.0 112.07 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.16 154.23 25.12 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.11 2.54 . . . . 0.0 111.037 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -72.89 154.7 40.47 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.129 0.966 . . . . 0.0 112.923 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -59.57 -36.41 76.16 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.142 0.977 . . . . 0.0 111.189 171.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.8 p -68.68 -37.69 79.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.519 1.128 . . . . 0.0 112.679 173.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 63.1 m -66.52 -41.94 88.05 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.919 0.781 . . . . 0.0 111.559 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.66 -43.94 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.056 0.943 . . . . 0.0 111.473 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 21.9 t -70.7 -37.77 73.62 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.28 -1.71 46.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.576 1.15 . . . . 0.0 113.175 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 66.05 37.64 5.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.416 1.886 . . . . 0.0 113.129 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.07 150.62 33.28 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.409 1.084 . . . . 0.0 110.721 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -85.27 137.3 33.07 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.507 0.723 . . . . 0.0 110.424 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 159.91 42.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.119 0.962 . . . . 0.0 113.207 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -131.02 133.63 45.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.472 1.109 . . . . 0.0 111.05 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -93.61 154.35 17.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.415 1.086 . . . . 0.0 112.057 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -164.15 178.96 7.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.937 2.095 . . . . 0.0 110.353 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -92.9 146.35 23.7 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.058 -1.026 . . . . 0.0 111.88 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -150.59 -159.91 9.05 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.705 2.098 . . . . 0.0 112.168 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -151.46 133.27 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.634 1.173 . . . . 0.0 111.056 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -108.18 148.51 29.81 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -138.89 140.51 38.42 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.379 1.871 . . . . 0.0 108.904 -167.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -104.98 136.83 43.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 111.999 -167.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -134.58 155.04 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.888 0.875 . . . . 0.0 113.268 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -136.2 142.86 44.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.94 1.696 . . . . 0.0 111.592 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 39.0 t -101.08 146.66 32.54 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 126.521 1.929 . . . . 0.0 110.199 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -17.28 52.91 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.702 2.934 . . . . 0.0 115.867 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.7 p -75.48 -13.23 60.36 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 120.086 1.312 . . . . 0.0 113.976 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.61 36.91 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 126.676 2.084 . . . . 0.0 114.574 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -65.36 151.13 47.02 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.804 1.302 . . . . 0.0 111.887 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -128.35 156.16 43.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.991 1.716 . . . . 0.0 111.551 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 t -160.03 171.62 19.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.056 1.342 . . . . 0.0 111.34 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -139.79 141.52 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.895 2.078 . . . . 0.0 107.872 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 13.5 t -152.2 165.65 34.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.908 0.861 . . . . 0.0 112.43 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.76 -25.02 21.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.58 1.952 . . . . 0.0 111.585 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.49 160.57 23.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.195 1.398 . . . . 0.0 111.923 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -60.09 -18.75 49.27 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.104 1.362 . . . . 0.0 114.196 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 18.4 tp -154.85 137.52 10.18 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 127.853 2.461 . . . . 0.0 108.106 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.13 151.86 61.63 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.555 2.17 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.64 -25.88 24.65 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.89 152.54 24.48 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 113.779 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -78.99 163.52 25.14 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.647 0.779 . . . . 0.0 111.238 170.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.23 143.24 57.97 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.712 1.205 . . . . 0.0 113.048 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.8 m -87.07 -13.66 43.65 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.046 0.939 . . . . 0.0 113.051 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.1 m -100.48 -39.45 7.94 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.936 1.294 . . . . 0.0 111.956 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.2 p -125.83 -15.28 5.98 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.6 -7.17 74.58 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 125.134 1.349 . . . . 0.0 116.092 166.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.53 -170.8 2.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.11 1.455 . . . . 0.0 113.336 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -132.48 91.58 2.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.608 1.563 . . . . 0.0 110.642 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.33 30.18 1.97 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.134 1.374 . . . . 0.0 112.734 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -56.56 135.82 54.56 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.498 1.119 . . . . 0.0 112.062 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.04 132.54 54.16 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.506 1.922 . . . . 0.0 108.96 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.63 125.9 29.67 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 22.2 m -116.4 168.98 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.245 1.418 . . . . 0.0 111.72 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 C-N-CA 124.37 0.986 . . . . 0.0 113.188 -178.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -175.28 154.5 1.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 130.432 3.493 . . . . 0.0 109.676 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.66 139.44 22.87 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.447 0.699 . . . . 0.0 112.5 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.5 m -72.76 141.33 48.11 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.844 0.858 . . . . 0.0 112.383 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.1 m -145.17 170.57 15.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.205 1.802 . . . . 0.0 111.218 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -88.24 142.78 27.48 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 160.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.1 m -139.87 167.56 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 127.007 2.123 . . . . 0.0 110.96 -170.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.6 p -137.0 141.88 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.904 1.281 . . . . 0.0 111.134 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -110.64 117.17 32.77 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.996 1.318 . . . . 0.0 108.47 167.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.1 t -71.89 120.8 18.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 166.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.99 -20.63 45.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.895 0.878 . . . . 0.0 112.522 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 30.4 m -76.55 -43.56 38.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.181 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -100.91 -17.48 16.8 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 74.69 18.87 2.67 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.046 2.538 . . . . 0.0 113.979 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -95.33 157.58 15.83 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.791 -1.193 . . . . 0.0 113.188 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 18.8 m -117.38 134.53 54.72 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.78 1.632 . . . . 0.0 109.929 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -157.57 175.23 14.21 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.643 1.577 . . . . 0.0 111.506 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -38.57 71.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.062 -1.024 . . . . 0.0 112.049 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.4 151.35 78.62 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 126.315 1.846 . . . . 0.0 111.49 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.61 149.46 26.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.126 2.55 . . . . 0.0 109.872 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -67.71 158.95 31.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 122.432 1.11 . . . . 0.0 113.327 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -36.51 78.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.54 1.136 . . . . 0.0 111.913 175.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 20.1 p -65.3 -43.04 92.34 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.957 1.303 . . . . 0.0 111.483 172.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -67.96 -40.21 83.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.343 1.057 . . . . 0.0 112.076 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.19 -41.05 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 111.221 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.8 t -70.95 -43.23 68.57 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -78.02 -7.83 57.39 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.628 1.171 . . . . 0.0 112.771 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 58.5 51.99 7.5 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.036 1.734 . . . . 0.0 112.573 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -60.41 155.5 18.01 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.299 1.04 . . . . 0.0 111.068 168.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -83.36 133.93 34.92 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.222 0.609 . . . . 0.0 110.004 172.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.61 44.67 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.799 0.84 . . . . 0.0 112.042 176.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -110.66 129.03 55.92 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.611 1.164 . . . . 0.0 110.216 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -95.11 151.86 18.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.597 1.159 . . . . 0.0 112.211 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -166.52 179.97 5.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.453 1.901 . . . . 0.0 110.948 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -95.99 155.77 16.61 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.989 -1.069 . . . . 0.0 113.05 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.98 -165.36 17.59 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.991 1.758 . . . . 0.0 112.895 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -150.17 133.74 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.323 1.449 . . . . 0.0 111.017 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -100.01 140.99 33.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.235 . . . . 0.0 113.739 -170.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -114.71 146.26 41.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.757 2.823 . . . . 0.0 109.486 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -111.21 130.66 55.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 112.271 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -129.88 149.13 51.75 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.551 1.141 . . . . 0.0 113.795 -174.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -131.6 146.2 52.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.529 1.532 . . . . 0.0 112.024 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 45.2 t -98.28 149.9 36.19 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 127.365 2.266 . . . . 0.0 110.667 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.83 -23.44 50.59 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.181 2.587 . . . . 0.0 115.811 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.6 p -76.53 -13.96 60.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.99 -10.94 31.92 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.895 1.712 . . . . 0.0 114.712 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -68.94 148.25 50.45 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.689 1.245 . . . . 0.0 111.651 174.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -135.58 157.04 47.86 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.981 1.312 . . . . 0.0 112.584 -172.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -155.11 170.65 21.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.014 1.325 . . . . 0.0 111.992 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.9 mt -139.72 140.27 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.294 1.838 . . . . 0.0 108.351 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.0 t -156.82 176.78 12.29 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.263 1.425 . . . . 0.0 110.592 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.23 -25.1 14.99 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.611 1.165 . . . . 0.0 111.988 -172.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.41 166.58 12.8 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.07 1.0 3.89 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -178.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 13.2 tp -158.39 137.82 8.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.179 1.791 . . . . 0.0 109.137 166.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -71.47 162.11 43.35 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.383 2.722 . . . . 0.0 111.505 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -12.14 35.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -173.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.38 152.28 25.54 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.389 1.476 . . . . 0.0 113.864 -169.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.03 163.56 26.56 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 111.965 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 45.5 t -60.87 135.96 57.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.919 1.287 . . . . 0.0 112.88 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.9 m -77.09 -17.4 58.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.322 1.049 . . . . 0.0 113.166 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 90.3 m -103.6 -33.63 8.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.536 1.134 . . . . 0.0 112.449 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.81 -13.13 3.29 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.78 -7.62 73.91 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 116.485 1.354 . . . . 0.0 116.485 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -173.36 4.1 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.004 1.402 . . . . 0.0 113.241 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.78 85.34 2.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.833 1.653 . . . . 0.0 110.241 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.89 33.77 3.16 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.557 1.543 . . . . 0.0 112.512 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -59.12 138.71 57.45 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.965 1.306 . . . . 0.0 113.101 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -127.82 136.94 52.13 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.98 1.712 . . . . 0.0 110.32 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -65.49 121.85 15.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.984 0.913 . . . . 0.0 110.318 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.9 171.41 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.868 1.667 . . . . 0.0 111.104 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 C-N-CA 123.558 0.599 . . . . 0.0 113.929 -177.658 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.39 157.83 28.49 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.848 2.459 . . . . 0.0 111.048 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.73 140.1 23.33 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.533 0.733 . . . . 0.0 112.631 -168.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 20.9 m -74.29 149.69 40.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.124 0.97 . . . . 0.0 113.132 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.4 t -159.58 165.47 32.77 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.194 1.398 . . . . 0.0 111.512 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -77.01 141.91 40.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.501 -0.749 . . . . 0.0 110.362 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.98 162.69 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.446 1.898 . . . . 0.0 110.582 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.0 p -125.37 139.38 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 125.534 1.534 . . . . 0.0 110.187 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.9 m -107.17 115.43 30.17 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.118 0.967 . . . . 0.0 108.729 163.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.46 118.31 17.27 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -79.31 -23.14 43.72 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 112.171 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.6 m -75.18 -42.14 56.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.767 1.227 . . . . 0.0 111.579 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.22 -16.88 19.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.917 1.287 . . . . 0.0 113.971 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.9 mptt 67.06 57.53 0.61 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.248 2.219 . . . . 0.0 112.966 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.34 158.38 43.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.549 1.139 . . . . 0.0 112.84 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.0 m -113.5 131.81 55.92 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.81 1.644 . . . . 0.0 110.303 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -154.91 177.56 11.16 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.908 1.683 . . . . 0.0 112.246 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.98 -34.53 77.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.84 1.256 . . . . 0.0 113.255 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -159.69 155.54 22.98 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.137 1.775 . . . . 0.0 112.399 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.49 157.34 32.59 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.591 2.194 . . . . 0.0 110.657 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -73.28 158.94 34.18 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.819 0.819 . . . . 0.0 112.074 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.87 -35.55 76.88 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.677 -0.639 . . . . 0.0 111.62 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 16.7 p -65.43 -41.89 93.05 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.684 1.193 . . . . 0.0 112.122 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.6 -41.53 96.16 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 112.128 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.02 -42.3 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.325 0.65 . . . . 0.0 111.601 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 26.0 t -71.01 -43.79 67.21 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -77.97 -9.9 59.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.21 1.004 . . . . 0.0 112.818 172.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 69.19 48.5 0.66 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.37 1.868 . . . . 0.0 112.689 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.25 155.48 11.43 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.051 1.34 . . . . 0.0 110.966 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.21 137.85 33.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.684 0.794 . . . . 0.0 110.072 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.86 152.64 40.59 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -113.08 126.05 55.04 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 109.287 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -91.46 145.96 24.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.328 1.051 . . . . 0.0 111.414 171.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -165.15 -179.73 5.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 111.47 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -96.04 151.59 19.31 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.16 -0.962 . . . . 0.0 111.863 173.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.58 -163.45 11.82 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 126.612 2.053 . . . . 0.0 112.051 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.78 131.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.235 1.414 . . . . 0.0 110.59 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -100.75 146.72 26.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 42.1 mtt85 -138.45 136.56 36.33 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 127.397 2.279 . . . . 0.0 109.282 -163.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.04 131.55 53.96 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.162 0.985 . . . . 0.0 111.564 -164.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -128.9 155.45 45.26 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 113.08 -174.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -134.98 142.25 46.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.81 2.044 . . . . 0.0 111.602 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.45 148.19 34.22 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.402 1.881 . . . . 0.0 110.362 171.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -58.2 -18.42 37.04 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.308 2.672 . . . . 0.0 116.237 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.3 p -77.67 -10.63 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 120.193 1.36 . . . . 0.0 114.261 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.09 -4.57 45.19 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 126.722 2.106 . . . . 0.0 114.79 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -68.61 155.64 39.63 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.797 1.299 . . . . 0.0 111.853 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -128.81 155.68 44.79 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.855 1.662 . . . . 0.0 112.465 -171.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -158.96 172.23 18.59 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.834 1.653 . . . . 0.0 111.416 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.2 mt -138.21 141.28 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.046 1.738 . . . . 0.0 108.447 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 33.3 t -145.62 164.66 31.02 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.161 0.984 . . . . 0.0 111.559 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.72 -10.06 32.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.182 1.793 . . . . 0.0 111.498 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -109.1 174.15 6.0 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.816 2.046 . . . . 0.0 111.271 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -62.71 -10.95 14.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.664 1.586 . . . . 0.0 114.972 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.2 tp -158.29 142.5 11.47 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.242 1.817 . . . . 0.0 109.708 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.6 156.75 57.26 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.428 2.752 . . . . 0.0 111.256 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -16.14 30.44 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -174.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 151.53 22.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 113.892 -162.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -76.99 155.14 32.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.855 0.862 . . . . 0.0 111.27 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.22 141.37 58.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.863 1.265 . . . . 0.0 112.809 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 7.9 t -82.77 -20.42 35.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.229 1.012 . . . . 0.0 112.895 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -97.21 -37.77 9.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.061 1.344 . . . . 0.0 112.428 -171.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.1 p -129.83 -13.0 4.21 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.851 1.796 . . . . 0.0 115.851 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.12 -11.55 69.18 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.759 1.171 . . . . 0.0 116.007 164.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.35 -168.2 2.13 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.083 1.441 . . . . 0.0 113.622 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -136.8 95.2 3.09 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.94 1.696 . . . . 0.0 110.49 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -143.13 31.57 1.38 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.641 1.576 . . . . 0.0 112.367 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -60.14 142.72 53.83 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.419 1.088 . . . . 0.0 113.325 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -130.15 135.93 48.72 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 126.759 2.024 . . . . 0.0 110.077 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.07 130.35 43.05 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.568 0.747 . . . . 0.0 110.366 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.77 175.05 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.442 1.497 . . . . 0.0 110.459 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.19 0 CA-C-O 122.603 1.113 . . . . 0.0 114.839 -173.529 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -158.96 153.5 24.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.058 2.543 . . . . 0.0 110.29 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.51 146.89 31.62 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.523 0.729 . . . . 0.0 111.748 -164.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.2 m -74.39 149.83 40.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.069 0.947 . . . . 0.0 113.095 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.05 170.91 21.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.849 1.26 . . . . 0.0 112.481 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -84.78 141.32 30.59 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 0.0 109.387 164.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.58 167.8 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.39 1.876 . . . . 0.0 110.984 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.8 p -144.52 129.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.609 1.164 . . . . 0.0 111.542 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 55.1 m -96.98 116.23 28.82 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.649 1.179 . . . . 0.0 108.748 168.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.7 117.04 16.09 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.17 -23.6 60.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.923 1.289 . . . . 0.0 111.932 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.8 m -79.05 -42.12 27.18 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.053 1.341 . . . . 0.0 111.781 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.5 -16.67 16.73 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.703 1.201 . . . . 0.0 113.833 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 68.6 49.38 0.74 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.856 2.062 . . . . 0.0 113.033 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -135.32 162.23 33.18 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.459 1.503 . . . . 0.0 112.302 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.4 m -116.41 124.43 50.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.642 1.177 . . . . 0.0 110.727 173.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -126.68 177.52 6.49 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.766 2.027 . . . . 0.0 110.602 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.23 -37.6 72.01 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.396 1.078 . . . . 0.0 111.53 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -142.73 154.11 62.25 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.008 2.123 . . . . 0.0 111.215 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.24 152.38 35.06 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.679 2.252 . . . . 0.0 109.779 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -76.93 159.99 29.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.482 1.134 . . . . 0.0 111.968 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.45 -37.95 79.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.813 0.845 . . . . 0.0 111.563 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.5 p -67.4 -40.94 85.63 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.855 1.262 . . . . 0.0 111.63 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.44 -42.69 95.84 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.233 0.924 . . . . 0.0 111.581 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.11 -43.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.77 0.828 . . . . 0.0 111.113 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.3 t -67.67 -39.54 84.48 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -80.42 -5.75 56.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.062 1.345 . . . . 0.0 112.961 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 65.31 42.41 3.93 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.244 1.818 . . . . 0.0 112.648 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -60.13 150.65 29.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.218 1.007 . . . . 0.0 110.381 171.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -87.05 142.31 28.02 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 110.74 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.46 152.78 44.53 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.309 0.644 . . . . 0.0 112.596 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -110.77 124.82 52.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 109.202 166.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -90.67 148.25 22.74 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.207 1.003 . . . . 0.0 111.873 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -166.46 -170.97 1.78 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.973 2.109 . . . . 0.0 110.622 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -109.72 154.04 23.46 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.696 -1.253 . . . . 0.0 112.887 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.05 -169.51 21.73 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.957 1.741 . . . . 0.0 113.294 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 68.8 t -132.62 132.01 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.219 1.408 . . . . 0.0 110.134 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -102.48 150.69 23.13 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.746 1.218 . . . . 0.0 113.903 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -142.59 139.26 31.27 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.865 2.066 . . . . 0.0 110.382 -160.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -112.32 132.32 55.04 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.329 1.052 . . . . 0.0 112.102 -162.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -132.0 152.96 50.83 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.139 0.975 . . . . 0.0 113.489 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.59 145.46 44.95 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.085 1.754 . . . . 0.0 112.233 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 47.3 t -104.58 148.92 36.82 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 127.299 2.24 . . . . 0.0 110.192 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.11 -19.58 49.83 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.671 2.914 . . . . 0.0 116.115 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.02 -12.44 60.33 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 120.178 1.354 . . . . 0.0 113.95 172.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.24 -7.38 47.5 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.471 1.986 . . . . 0.0 114.602 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -70.77 149.89 46.42 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.184 1.492 . . . . 0.0 112.186 174.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -134.44 160.94 36.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.919 1.287 . . . . 0.0 112.648 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -155.97 174.31 15.52 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.532 1.533 . . . . 0.0 111.597 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.1 mt -134.36 142.54 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.398 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.4 t -140.14 166.88 23.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.629 1.172 . . . . 0.0 111.387 173.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.5 mt -88.07 -18.3 29.22 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.186 0.994 . . . . 0.0 111.865 167.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.05 166.13 14.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.227 1.411 . . . . 0.0 112.455 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -65.52 -10.69 36.94 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.6 tp -164.73 137.94 3.88 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 127.694 2.398 . . . . 0.0 108.824 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.22 156.44 51.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 123.063 2.509 . . . . 0.0 110.547 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -87.68 -27.0 22.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -80.72 153.15 28.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.822 1.249 . . . . 0.0 113.057 -165.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -74.94 162.38 28.66 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.482 -0.761 . . . . 0.0 111.929 167.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.97 135.49 55.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.019 1.328 . . . . 0.0 112.727 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 29.3 m -74.89 -13.83 60.59 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.338 1.055 . . . . 0.0 113.378 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -103.49 -42.2 5.76 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.381 1.072 . . . . 0.0 112.251 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.8 p -123.29 -14.39 7.46 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.78 -5.62 79.56 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.439 1.335 . . . . 0.0 116.439 166.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -173.33 3.75 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.28 1.54 . . . . 0.0 112.653 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -125.42 103.03 7.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.962 1.305 . . . . 0.0 110.137 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -146.46 31.22 0.99 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.147 1.779 . . . . 0.0 112.603 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -60.51 139.46 57.74 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.314 -0.866 . . . . 0.0 112.661 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -130.53 135.86 48.35 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.25 1.82 . . . . 0.0 109.922 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.03 128.36 35.43 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.033 0.533 . . . . 0.0 110.409 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -122.04 172.09 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.306 1.442 . . . . 0.0 110.837 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 C-N-CA 124.686 1.136 . . . . 0.0 114.156 -176.354 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . 0.459 ' H ' ' HD3' ' A' ' 759' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -74.55 140.33 44.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.103 1.361 . . . . 0.0 110.84 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.77 131.32 8.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.76 0.824 . . . . 0.0 109.634 -162.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.7 p -78.2 142.53 37.87 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.834 0.826 . . . . 0.0 112.283 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.8 t -158.5 157.17 31.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.004 1.322 . . . . 0.0 110.438 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -72.96 130.09 39.58 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.902 -0.499 . . . . 0.0 110.093 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.87 158.79 19.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 127.722 2.409 . . . . 0.0 110.296 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.1 p -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.785 1.634 . . . . 0.0 110.845 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 91.4 m -126.46 111.46 14.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 109.36 168.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 30.2 t -75.29 118.06 17.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.762 0.825 . . . . 0.0 109.855 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -83.8 -14.97 50.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.358 1.463 . . . . 0.0 112.501 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.3 m -81.42 -43.45 18.91 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.818 1.247 . . . . 0.0 111.242 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -97.55 -24.17 15.68 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 72.07 65.79 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.456 2.302 . . . . 0.0 112.317 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -146.72 157.05 43.6 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.243 1.017 . . . . 0.0 113.277 170.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.7 m -113.17 137.47 51.41 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.093 1.757 . . . . 0.0 109.044 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.71 172.16 19.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.383 1.073 . . . . 0.0 111.239 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.96 89.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.746 0.818 . . . . 0.0 111.542 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -150.63 151.49 30.69 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.913 2.085 . . . . 0.0 110.103 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -76.67 161.41 33.86 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.423 2.749 . . . . 0.0 110.97 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -69.64 156.48 38.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.775 0.798 . . . . 0.0 112.076 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.57 -37.08 82.56 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.462 -0.774 . . . . 0.0 111.614 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 15.3 p -61.9 -43.43 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.582 1.153 . . . . 0.0 112.195 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 60.8 m -62.8 -39.68 95.01 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.74 0.816 . . . . 0.0 112.224 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 92.3 t -69.66 -45.73 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.827 0.851 . . . . 0.0 111.11 176.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -36.38 75.52 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.43 1.014 . . . . 0.0 113.244 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -79.66 -7.27 58.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.815 0.846 . . . . 0.0 112.611 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 55.99 52.94 9.79 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.174 1.79 . . . . 0.0 112.174 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -60.77 157.3 15.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.237 1.015 . . . . 0.0 111.329 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -81.34 130.91 35.23 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.263 0.625 . . . . 0.0 110.122 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.65 151.02 35.47 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -108.93 142.66 39.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.61 1.164 . . . . 0.0 110.09 168.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -115.63 146.4 41.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.021 1.328 . . . . 0.0 111.66 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -164.07 171.28 15.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.349 1.459 . . . . 0.0 111.232 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -81.52 141.12 34.1 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.217 -0.927 . . . . 0.0 111.616 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -142.21 -169.28 12.07 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 127.005 2.241 . . . . 0.0 111.757 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -148.33 138.91 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.513 1.525 . . . . 0.0 110.5 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -107.14 150.53 26.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.074 1.35 . . . . 0.0 114.568 -166.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -120.22 145.93 46.53 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.213 2.605 . . . . 0.0 110.168 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -119.84 136.39 54.5 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.474 1.109 . . . . 0.0 112.298 -168.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -136.89 157.95 45.58 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.235 1.014 . . . . 0.0 113.213 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -138.89 146.24 40.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.538 . . . . 0.0 111.744 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.37 148.82 35.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.855 2.062 . . . . 0.0 110.697 175.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.12 -21.18 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 124.052 3.168 . . . . 0.0 116.113 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.98 -11.34 59.94 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 120.442 1.474 . . . . 0.0 114.093 172.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.7 -9.43 40.8 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.449 1.975 . . . . 0.0 114.481 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.47 157.05 30.55 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 1.399 . . . . 0.0 112.271 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -125.69 158.66 34.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.892 1.677 . . . . 0.0 112.03 -174.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.2 t -156.61 169.75 23.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.376 1.47 . . . . 0.0 111.136 170.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.2 mt -143.98 143.14 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 126.529 1.931 . . . . 0.0 108.288 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -154.97 169.42 24.11 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.884 0.849 . . . . 0.0 112.523 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -97.69 -10.21 25.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.87 1.668 . . . . 0.0 111.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -97.42 169.66 9.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.019 1.728 . . . . 0.0 111.405 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -12.22 58.01 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 17.3 tp -155.85 138.62 10.53 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 126.895 2.078 . . . . 0.0 108.622 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.66 152.22 64.49 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.097 2.531 . . . . 0.0 111.66 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -22.36 28.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -171.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.24 160.51 17.56 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.84 163.5 26.71 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.693 1.197 . . . . 0.0 112.429 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.63 133.89 56.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.383 1.073 . . . . 0.0 112.135 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.7 p -81.31 -8.84 59.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.92 1.288 . . . . 0.0 113.595 175.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.4 m -105.43 -41.39 5.52 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.935 1.294 . . . . 0.0 112.149 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -126.5 -12.95 6.09 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.66 -8.68 74.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.014 1.292 . . . . 0.0 116.131 164.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.41 -170.23 2.94 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.071 1.436 . . . . 0.0 113.259 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -132.81 101.56 5.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.525 1.53 . . . . 0.0 109.995 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -145.49 30.93 1.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.979 1.711 . . . . 0.0 112.13 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -62.71 137.99 58.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.27 1.028 . . . . 0.0 113.27 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -124.64 139.79 53.54 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.107 1.763 . . . . 0.0 109.312 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -65.32 130.87 44.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.428 1.091 . . . . 0.0 110.31 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -141.98 -173.17 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.147 1.379 . . . . 0.0 111.002 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.987 0 C-N-CA 124.567 1.08 . . . . 0.0 114.321 173.703 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.52 160.0 17.68 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.465 1.506 . . . . 0.0 112.329 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -148.69 143.92 26.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.666 0.746 . . . . 0.0 112.834 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.4 m -76.8 153.31 35.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.956 0.902 . . . . 0.0 113.189 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.0 p -160.43 174.7 13.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.464 1.506 . . . . 0.0 112.411 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -88.88 137.51 32.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.65 0.78 . . . . 0.0 109.124 165.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.28 165.53 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.563 1.945 . . . . 0.0 110.112 -172.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.7 135.55 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.066 0.946 . . . . 0.0 111.95 -172.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 50.6 m -104.84 119.93 40.19 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.484 1.113 . . . . 0.0 108.333 167.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.34 116.26 13.68 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 164.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -76.03 -21.96 56.26 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.081 0.952 . . . . 0.0 112.332 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -71.0 -47.93 56.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.989 1.315 . . . . 0.0 110.946 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.39 -20.63 18.95 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? 74.35 17.17 3.24 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 128.511 2.724 . . . . 0.0 115.116 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -94.33 158.15 15.71 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 120.67 -1.269 . . . . 0.0 112.224 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.3 m -125.5 137.73 53.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.032 1.333 . . . . 0.0 110.474 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.56 -172.47 2.92 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.769 1.628 . . . . 0.0 111.504 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.11 -27.11 62.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.887 1.275 . . . . 0.0 113.444 -172.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -159.14 154.59 22.39 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.469 1.908 . . . . 0.0 112.065 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.48 147.61 41.34 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.735 2.29 . . . . 0.0 110.664 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.5 159.65 33.59 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.39 -35.77 74.55 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.473 -0.767 . . . . 0.0 112.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 8.8 p -67.23 -41.56 85.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.272 1.029 . . . . 0.0 112.038 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.4 -38.47 84.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.337 1.055 . . . . 0.0 111.65 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.3 t -70.04 -43.4 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.022 0.929 . . . . 0.0 111.279 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.8 t -68.98 -41.61 77.64 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.144 0.884 . . . . 0.0 113.267 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -80.62 -9.99 59.76 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.888 0.875 . . . . 0.0 113.052 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.92 52.88 5.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.211 1.804 . . . . 0.0 112.417 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -60.34 157.16 14.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.189 0.996 . . . . 0.0 110.51 169.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -89.11 120.44 30.51 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.215 0.606 . . . . 0.0 109.951 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.18 147.09 46.07 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.132 0.973 . . . . 0.0 112.063 177.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -110.13 124.96 52.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.821 1.248 . . . . 0.0 110.213 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -89.35 149.96 22.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.25 1.02 . . . . 0.0 112.268 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -161.97 -177.55 5.87 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.797 2.039 . . . . 0.0 110.826 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -94.72 148.09 22.65 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.802 -1.186 . . . . 0.0 112.867 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -154.85 -170.04 20.12 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 126.181 1.848 . . . . 0.0 112.835 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.0 t -137.32 136.81 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.33 1.452 . . . . 0.0 109.923 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -107.11 145.07 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.18 1.392 . . . . 0.0 113.01 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.32 150.59 49.52 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.867 . . . . 0.0 110.052 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -113.23 141.85 46.49 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.405 1.482 . . . . 0.0 112.09 -168.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.96 149.49 47.59 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.265 1.026 . . . . 0.0 113.271 -170.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -123.46 144.22 49.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.989 2.116 . . . . 0.0 111.937 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 35.1 t -97.58 152.34 38.12 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.634 1.974 . . . . 0.0 111.082 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -56.75 -24.93 57.97 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.083 2.522 . . . . 0.0 115.482 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.78 -11.33 60.13 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.36 -11.68 51.15 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 126.383 1.944 . . . . 0.0 114.579 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -61.89 156.23 21.35 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.507 1.154 . . . . 0.0 112.579 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -131.08 152.73 50.07 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.101 1.36 . . . . 0.0 111.534 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -158.08 177.44 11.31 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.615 1.166 . . . . 0.0 112.336 173.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.5 142.96 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 126.531 1.932 . . . . 0.0 109.325 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.0 t -140.15 161.22 38.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.755 0.822 . . . . 0.0 111.039 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 78.7 mt -85.99 -17.26 35.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.804 0.842 . . . . 0.0 112.195 165.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -95.46 170.84 9.08 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.383 0.992 . . . . 0.0 111.4 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -63.43 -9.85 14.48 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.3 tp -160.08 149.77 14.55 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.555 1.942 . . . . 0.0 109.363 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.28 176.93 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 124.695 3.597 . . . . 0.0 113.562 169.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 8.79 1.0 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.87 1.668 . . . . 0.0 113.192 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -100.08 -18.65 16.88 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -158.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 66.6 m80 71.6 152.47 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.237 2.615 . . . . 0.0 113.241 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.0 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.252 1.421 . . . . 0.0 112.634 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 42.0 p -85.55 -10.5 55.86 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.053 1.341 . . . . 0.0 113.917 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 53.2 m -104.66 -42.17 5.48 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.741 1.216 . . . . 0.0 112.487 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -123.48 -12.26 7.76 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.98 -10.16 75.05 Favored Glycine 0 N--CA 1.479 1.521 0 C-N-CA 125.595 1.569 . . . . 0.0 115.935 164.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 -169.02 2.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.934 1.367 . . . . 0.0 113.049 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -131.08 106.52 8.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.989 1.316 . . . . 0.0 110.464 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -146.8 29.16 1.01 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.145 1.778 . . . . 0.0 112.212 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -60.89 145.66 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.729 -1.232 . . . . 0.0 114.133 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -132.4 140.67 48.56 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.0 2.12 . . . . 0.0 109.007 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -70.74 136.61 49.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.835 -0.54 . . . . 0.0 111.006 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.96 176.56 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.393 1.477 . . . . 0.0 111.847 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.152 0 C-N-CA 125.013 1.292 . . . . 0.0 115.816 -174.028 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 . . . . . 0 CA--C 1.55 0.959 0 N-CA-C 116.088 1.885 . . . . 0.0 116.088 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -139.84 155.31 47.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.884 2.074 . . . . 0.0 109.766 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -139.29 141.05 37.77 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.283 0.633 . . . . 0.0 112.191 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.1 p -71.74 150.24 44.64 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.178 0.99 . . . . 0.0 112.813 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 33.8 t -157.9 162.35 38.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.362 1.465 . . . . 0.0 110.274 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -84.58 143.15 29.47 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.506 0.722 . . . . 0.0 110.291 168.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 11.8 m -142.77 164.35 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.389 1.876 . . . . 0.0 110.94 -171.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.67 139.03 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 125.881 1.672 . . . . 0.0 110.826 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 63.3 m -109.74 115.59 30.13 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.972 1.309 . . . . 0.0 108.254 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.4 117.05 14.69 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 168.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.42 -21.21 59.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.613 1.165 . . . . 0.0 112.007 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 27.4 m -80.93 -42.55 21.17 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.669 1.188 . . . . 0.0 111.478 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 82.6 m -99.11 -18.64 17.61 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 70.24 34.53 2.32 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.464 2.305 . . . . 0.0 113.75 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.33 158.86 18.55 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.792 1.237 . . . . 0.0 112.219 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 22.1 m -122.11 132.55 54.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.622 1.569 . . . . 0.0 109.694 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -159.51 -178.35 7.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.221 1.408 . . . . 0.0 111.533 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.411 ' CE1' ' HE3' ' A' ' 796' ' ' LYS . 1.4 m-85 -70.52 -26.96 63.82 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.916 1.286 . . . . 0.0 113.328 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -158.47 155.67 25.89 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.913 1.685 . . . . 0.0 112.279 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -81.33 160.19 20.02 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.307 2.672 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -75.43 157.9 33.45 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.746 0.784 . . . . 0.0 112.777 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.47 -33.91 74.55 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.719 -0.613 . . . . 0.0 111.457 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 17.7 p -66.25 -41.88 89.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.551 1.14 . . . . 0.0 112.024 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.2 m -63.96 -40.2 95.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.475 0.71 . . . . 0.0 111.554 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.81 -43.29 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.637 0.775 . . . . 0.0 111.555 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 74.4 m -72.25 -38.0 68.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.466 1.107 . . . . 0.0 113.784 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -81.62 -3.91 54.68 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.534 1.134 . . . . 0.0 112.543 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 58.18 49.75 10.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.063 1.745 . . . . 0.0 112.119 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -60.48 151.69 27.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.092 0.957 . . . . 0.0 110.276 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -83.77 138.82 33.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.111 0.564 . . . . 0.0 109.975 172.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.02 37.77 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -108.71 123.97 49.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.717 1.207 . . . . 0.0 109.847 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.32 147.27 23.05 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.014 0.926 . . . . 0.0 112.277 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -163.08 -178.58 6.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -100.07 150.78 22.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.153 -0.967 . . . . 0.0 112.341 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.67 -157.1 7.84 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 126.659 2.076 . . . . 0.0 112.347 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.91 137.56 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.359 1.464 . . . . 0.0 110.902 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 776' ' ' PHE . 11.6 ptmt -111.9 143.3 43.1 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.884 1.273 . . . . 0.0 113.967 -170.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.85 153.69 32.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.338 2.255 . . . . 0.0 110.03 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.78 142.83 43.65 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.421 1.489 . . . . 0.0 110.817 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -137.64 150.57 47.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.794 0.806 . . . . 0.0 113.024 -172.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -130.94 141.84 50.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.219 1.808 . . . . 0.0 111.619 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.74 149.44 35.72 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.21 1.804 . . . . 0.0 110.22 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.41 -21.69 46.42 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.473 2.782 . . . . 0.0 116.053 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -76.02 -10.92 59.81 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.374 1.443 . . . . 0.0 113.817 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.62 -13.9 42.44 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.643 2.068 . . . . 0.0 114.502 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -62.94 158.6 18.8 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.112 1.456 . . . . 0.0 113.007 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -131.51 162.37 30.41 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.224 1.41 . . . . 0.0 112.548 -170.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -161.71 174.64 12.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.951 1.7 . . . . 0.0 110.983 169.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.4 mt -142.29 141.55 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.903 2.081 . . . . 0.0 108.513 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 20.6 t -155.3 168.0 28.5 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.863 0.865 . . . . 0.0 111.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -95.5 -23.73 16.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.241 1.816 . . . . 0.0 110.991 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -85.86 169.81 12.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.037 1.335 . . . . 0.0 111.715 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -61.2 -15.84 38.61 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.53 131.83 3.92 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 127.123 2.169 . . . . 0.0 108.806 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.78 150.92 83.31 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.895 3.063 . . . . 0.0 112.181 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -15.8 45.05 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 168.91 13.63 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -167.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -71.1 162.28 29.69 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.411 1.484 . . . . 0.0 114.604 -175.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.18 131.24 48.81 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.447 1.099 . . . . 0.0 111.878 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 9.9 m -72.32 -13.63 61.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.521 1.128 . . . . 0.0 113.626 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.54 -40.8 5.23 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.005 1.322 . . . . 0.0 112.277 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.86 -13.28 6.94 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.54 -5.2 80.21 Favored Glycine 0 N--CA 1.474 1.229 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 165.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 -169.31 2.54 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.841 1.32 . . . . 0.0 112.724 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -135.98 89.17 2.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.357 1.463 . . . . 0.0 110.178 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -137.32 32.54 2.57 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.528 1.531 . . . . 0.0 112.207 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -59.87 139.61 57.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -125.46 131.93 52.77 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.282 1.833 . . . . 0.0 108.897 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -72.01 129.68 39.12 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.03 0.532 . . . . 0.0 110.281 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -127.98 169.0 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.767 1.627 . . . . 0.0 111.419 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 C-N-CA 124.56 1.076 . . . . 0.0 115.266 -174.543 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -132.62 154.28 50.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.752 2.021 . . . . 0.0 109.647 175.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -141.98 141.96 32.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -161.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.2 p -77.17 145.25 37.81 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.486 0.715 . . . . 0.0 112.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -161.78 167.71 24.43 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.901 1.281 . . . . 0.0 111.845 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -75.86 140.63 42.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 110.785 174.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 13.3 m -139.55 165.52 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 127.636 2.374 . . . . 0.0 110.217 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 137.03 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.944 1.298 . . . . 0.0 111.709 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 90.8 m -106.2 116.94 32.79 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.01 1.324 . . . . 0.0 108.705 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.42 123.45 24.71 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 167.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -81.13 -20.18 41.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.206 1.002 . . . . 0.0 112.417 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -82.55 -38.97 22.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.274 1.43 . . . . 0.0 111.519 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.73 -16.36 16.02 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.313 1.045 . . . . 0.0 113.763 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.71 20.11 4.74 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.379 2.272 . . . . 0.0 113.987 176.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -88.16 162.11 16.89 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.106 -0.996 . . . . 0.0 112.5 172.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 89.9 m -126.29 121.97 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.804 1.242 . . . . 0.0 109.307 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -135.39 178.83 6.73 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.366 1.866 . . . . 0.0 111.054 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -67.31 -32.73 73.89 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.25 1.42 . . . . 0.0 112.751 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -158.89 155.96 25.72 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 126.628 1.971 . . . . 0.0 111.557 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.88 150.48 34.53 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.343 2.029 . . . . 0.0 110.035 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -71.25 159.6 34.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.283 1.039 . . . . 0.0 112.373 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.6 -37.71 76.43 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.826 0.851 . . . . 0.0 111.754 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.8 p -65.34 -42.29 93.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.783 1.233 . . . . 0.0 111.74 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 92.0 m -66.43 -39.22 88.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.129 0.972 . . . . 0.0 112.021 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 88.2 t -69.83 -43.99 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.922 0.889 . . . . 0.0 111.389 173.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.3 t -71.4 -42.47 68.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -75.78 -14.45 60.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.284 1.034 . . . . 0.0 112.695 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 70.5 43.69 0.76 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.11 1.764 . . . . 0.0 112.59 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -58.27 154.17 13.85 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.04 1.336 . . . . 0.0 110.221 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -80.2 138.09 36.78 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.644 0.778 . . . . 0.0 109.815 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.21 150.43 46.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 174.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -112.15 121.0 43.73 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.946 1.298 . . . . 0.0 109.187 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -87.41 148.05 25.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.929 0.891 . . . . 0.0 111.79 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -162.31 178.82 8.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 111.142 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -93.13 145.9 24.06 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.354 -0.841 . . . . 0.0 111.833 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -149.67 -155.08 6.63 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.064 2.268 . . . . 0.0 111.817 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.11 136.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.381 1.473 . . . . 0.0 110.679 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.56 141.1 48.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.822 1.249 . . . . 0.0 112.771 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.47 155.18 44.13 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.874 2.069 . . . . 0.0 110.373 177.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -115.79 146.85 41.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.321 1.448 . . . . 0.0 111.388 -164.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -141.47 149.62 41.19 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.61 138.89 49.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.86 1.664 . . . . 0.0 111.986 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 43.5 t -95.49 148.75 35.11 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 127.201 2.2 . . . . 0.0 110.669 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.4 -18.71 47.42 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.295 2.663 . . . . 0.0 115.967 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.98 -10.55 59.44 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.438 1.472 . . . . 0.0 113.964 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 103.22 -8.99 53.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.724 2.107 . . . . 0.0 114.838 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.02 150.97 47.07 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.241 1.52 . . . . 0.0 111.87 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -135.51 159.53 41.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.657 1.183 . . . . 0.0 112.808 -171.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -154.89 178.64 9.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.553 1.541 . . . . 0.0 111.569 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.18 146.97 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.61 1.964 . . . . 0.0 108.804 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.0 t -147.21 160.75 42.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 122.359 1.076 . . . . 0.0 112.793 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.99 -8.26 43.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.896 2.079 . . . . 0.0 111.758 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -110.88 174.4 5.88 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.858 2.063 . . . . 0.0 111.23 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.08 -10.2 9.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.9 tp -156.79 144.08 13.76 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.292 2.237 . . . . 0.0 109.144 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -69.47 152.62 70.84 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.989 2.459 . . . . 0.0 110.942 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -3.03 53.87 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 155.55 27.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.814 1.646 . . . . 0.0 112.986 -171.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -79.72 165.55 22.7 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.97 1.308 . . . . 0.0 111.963 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.25 133.35 55.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.435 -0.79 . . . . 0.0 112.684 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.0 m -72.93 -16.38 61.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.583 1.153 . . . . 0.0 113.306 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.66 -31.15 8.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.15 1.38 . . . . 0.0 112.325 -169.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 15.6 p -138.92 -13.18 1.24 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.23 5.06 70.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.984 1.154 . . . . 0.0 115.984 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.09 167.66 9.61 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.051 1.426 . . . . 0.0 113.718 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -130.6 49.38 2.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.512 1.525 . . . . 0.0 110.598 166.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -109.84 23.33 14.53 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.35 1.86 . . . . 0.0 113.126 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -46.83 129.61 11.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.789 2.035 . . . . 0.0 114.115 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -106.34 132.24 52.61 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.109 1.763 . . . . 0.0 109.954 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 125.18 23.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.266 0.627 . . . . 0.0 110.547 173.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.82 177.46 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 126.147 1.779 . . . . 0.0 110.159 170.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 115.086 0.794 . . . . 0.0 115.086 -170.693 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -167.7 164.9 14.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.823 2.849 . . . . 0.0 110.305 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -152.73 142.25 21.75 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.55 0.74 . . . . 0.0 111.712 -172.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 21.4 p -70.09 142.42 52.64 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 111.725 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 36.6 t -154.37 155.46 35.1 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.276 1.03 . . . . 0.0 111.505 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -73.54 141.56 46.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 109.989 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 10.8 m -139.51 163.1 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.274 2.23 . . . . 0.0 110.906 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 10.8 p -134.52 141.55 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 126.419 1.888 . . . . 0.0 110.394 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 89.5 m -112.18 117.52 32.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.993 1.317 . . . . 0.0 108.937 168.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.1 t -74.44 123.06 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.562 0.745 . . . . 0.0 109.065 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.47 -17.78 47.49 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.312 -0.867 . . . . 0.0 112.622 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 57.7 m -81.69 -40.41 22.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.441 1.096 . . . . 0.0 111.429 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.83 -16.72 16.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 72.17 22.24 3.69 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.594 2.358 . . . . 0.0 113.533 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -99.2 156.08 17.15 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.445 1.098 . . . . 0.0 112.946 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 59.7 m -120.53 132.13 55.03 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.445 1.498 . . . . 0.0 110.114 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -155.39 -178.35 7.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.11 1.764 . . . . 0.0 111.344 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -68.34 -32.07 71.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 0.0 113.131 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -159.68 154.7 21.44 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.609 1.964 . . . . 0.0 111.574 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -78.08 151.0 26.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.987 2.458 . . . . 0.0 110.599 -175.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -68.09 157.21 35.77 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.485 0.714 . . . . 0.0 112.416 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.06 -31.49 71.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.5 p -66.16 -45.52 80.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.312 1.445 . . . . 0.0 110.992 171.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.96 -41.4 97.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.06 0.944 . . . . 0.0 111.879 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.78 -43.18 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.625 0.77 . . . . 0.0 111.469 175.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -39.62 69.26 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.211 -0.931 . . . . 0.0 113.3 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -80.21 -3.04 47.46 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.669 1.188 . . . . 0.0 112.767 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 22.7 m120 62.46 45.48 6.37 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.88 1.672 . . . . 0.0 113.079 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.09 154.16 20.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.017 0.927 . . . . 0.0 110.756 172.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.94 138.0 32.76 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.913 0.885 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.5 152.17 37.58 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -116.78 137.38 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.871 1.269 . . . . 0.0 110.802 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -103.98 150.83 23.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.664 1.185 . . . . 0.0 112.348 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -164.92 -167.02 1.12 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.701 2.0 . . . . 0.0 110.808 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -115.92 151.15 35.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.608 1.163 . . . . 0.0 112.422 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -151.43 -152.23 5.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 127.532 2.492 . . . . 0.0 112.213 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -150.47 136.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.429 1.492 . . . . 0.0 110.74 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -109.38 144.54 37.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.856 1.262 . . . . 0.0 114.198 -170.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -118.62 146.2 44.83 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.152 2.581 . . . . 0.0 109.944 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -112.11 138.33 48.92 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.374 1.069 . . . . 0.0 112.43 -171.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -133.09 148.74 52.16 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.162 0.985 . . . . 0.0 113.533 -172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -127.87 141.74 51.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.012 1.725 . . . . 0.0 111.535 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 46.5 t -96.85 149.02 35.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.542 1.937 . . . . 0.0 109.992 170.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.72 -19.37 45.75 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.589 2.859 . . . . 0.0 115.764 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.1 p -77.13 -11.19 59.78 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 120.251 1.387 . . . . 0.0 114.005 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.59 -14.61 38.66 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.73 2.109 . . . . 0.0 114.496 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.01 154.76 25.72 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.53 1.165 . . . . 0.0 112.316 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -129.12 156.42 43.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.381 1.472 . . . . 0.0 112.344 -172.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.7 t -155.24 172.59 17.92 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.664 1.586 . . . . 0.0 111.599 168.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.6 mt -140.37 141.69 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.526 1.93 . . . . 0.0 108.699 -175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.5 t -153.83 172.07 17.93 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.223 -0.923 . . . . 0.0 111.155 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.76 -24.96 18.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.402 1.481 . . . . 0.0 111.834 -175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -91.02 166.3 13.08 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.437 1.495 . . . . 0.0 111.691 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.95 -9.56 16.29 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.326 1.45 . . . . 0.0 114.835 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.26 138.31 10.62 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.049 1.74 . . . . 0.0 109.529 171.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -73.7 160.43 43.85 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.076 2.517 . . . . 0.0 110.873 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.09 21.23 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.97 153.14 19.66 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.386 1.474 . . . . 0.0 113.238 -172.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -80.63 164.66 22.7 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.131 0.972 . . . . 0.0 112.405 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.48 135.87 57.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.888 1.275 . . . . 0.0 112.43 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 12.6 p -82.64 -8.87 59.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.347 1.459 . . . . 0.0 113.74 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.3 m -106.27 -40.32 5.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.046 1.338 . . . . 0.0 112.81 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.3 -13.91 6.02 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.33 -8.02 72.14 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 164.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.13 -172.98 4.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.11 1.455 . . . . 0.0 113.097 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -128.71 100.97 5.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.214 1.405 . . . . 0.0 109.954 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -144.85 29.36 1.22 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.614 1.566 . . . . 0.0 112.343 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -60.6 141.32 56.8 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.341 1.056 . . . . 0.0 113.527 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -130.98 137.54 49.29 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.493 1.917 . . . . 0.0 109.913 176.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -64.88 119.17 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.155 1.382 . . . . 0.0 110.445 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -119.14 168.07 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.428 1.491 . . . . 0.0 110.774 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.873 0 CA-C-O 122.153 0.863 . . . . 0.0 114.855 -177.579 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 115.672 1.731 . . . . 0.0 115.672 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -130.96 133.03 45.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.269 1.828 . . . . 0.0 107.576 164.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -119.6 142.56 48.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -157.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.2 m -62.8 140.04 58.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.991 0.916 . . . . 0.0 112.392 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.6 t -149.6 163.48 37.75 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.655 1.182 . . . . 0.0 111.149 -172.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -90.83 134.57 34.34 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.108 0.963 . . . . 0.0 110.046 169.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.68 170.2 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.889 2.075 . . . . 0.0 110.483 -167.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.5 p -131.82 142.01 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.801 1.24 . . . . 0.0 111.152 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 53.0 m -111.32 116.92 31.79 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.139 0.976 . . . . 0.0 108.683 161.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 37.8 t -75.12 117.92 17.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 168.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.2 -20.29 52.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.297 1.039 . . . . 0.0 112.544 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 36.8 m -76.98 -42.69 37.91 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.693 1.197 . . . . 0.0 111.678 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 86.4 m -99.56 -16.72 18.17 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 55.6 mttm 85.76 6.8 0.4 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.061 2.944 . . . . 0.0 114.57 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -103.22 161.64 13.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.509 1.124 . . . . 0.0 113.999 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 21.9 m -110.51 138.32 47.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.686 1.595 . . . . 0.0 109.95 175.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.87 172.92 16.62 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.723 1.609 . . . . 0.0 112.485 -174.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.69 -33.61 74.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.15 0.98 . . . . 0.0 112.618 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -163.19 153.01 13.09 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 126.721 2.008 . . . . 0.0 111.151 -173.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -75.31 158.1 41.15 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.089 2.526 . . . . 0.0 110.23 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.3 158.23 36.21 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.205 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.16 -32.58 72.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.644 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -69.76 -39.9 76.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.8 1.24 . . . . 0.0 112.194 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.85 -42.45 94.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.301 0.955 . . . . 0.0 111.609 175.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.43 -42.71 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.803 0.841 . . . . 0.0 110.883 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.9 t -68.22 -43.29 78.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.168 0.895 . . . . 0.0 112.847 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.91 -3.8 40.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.078 0.951 . . . . 0.0 113.092 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 57.57 50.59 10.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.294 1.838 . . . . 0.0 112.127 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -61.42 153.18 27.76 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.309 1.044 . . . . 0.0 110.593 169.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -86.25 135.0 33.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.582 0.753 . . . . 0.0 110.227 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.77 153.91 48.46 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.628 0.771 . . . . 0.0 112.396 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -114.17 128.55 56.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.13 1.372 . . . . 0.0 109.232 166.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -91.96 146.09 24.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.343 1.057 . . . . 0.0 111.141 172.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -163.41 178.46 8.06 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.222 1.809 . . . . 0.0 110.978 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.65 154.29 17.41 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 121.14 -0.975 . . . . 0.0 112.839 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.85 -157.87 8.97 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.924 2.202 . . . . 0.0 111.614 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.9 139.29 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.388 1.475 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -111.2 136.83 49.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.844 1.658 . . . . 0.0 112.527 -172.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.36 143.22 35.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.893 1.677 . . . . 0.0 109.22 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -104.28 147.93 26.94 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.673 1.189 . . . . 0.0 110.236 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -135.97 143.51 44.89 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.461 0.704 . . . . 0.0 112.508 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -120.84 141.56 50.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.085 1.754 . . . . 0.0 111.89 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.41 149.23 35.85 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.518 1.927 . . . . 0.0 110.322 168.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -58.17 -22.62 57.57 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.196 2.597 . . . . 0.0 115.503 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -76.09 -12.98 60.21 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 120.218 1.372 . . . . 0.0 114.506 173.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.85 -13.36 34.83 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.363 1.935 . . . . 0.0 114.719 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -61.29 153.74 25.64 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.371 1.585 . . . . 0.0 112.154 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 27.1 mmt-85 -128.91 160.0 34.03 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.104 1.362 . . . . 0.0 112.812 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.1 t -158.44 178.27 10.34 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.276 1.83 . . . . 0.0 110.691 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.7 mt -141.31 146.5 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 126.27 1.828 . . . . 0.0 108.641 -175.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -141.48 159.03 43.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.258 0.623 . . . . 0.0 111.409 170.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.3 mt -82.86 -14.23 54.68 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.593 -0.692 . . . . 0.0 111.881 164.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -100.9 169.05 9.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.109 1.764 . . . . 0.0 112.025 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.41 -13.53 13.93 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.691 1.996 . . . . 0.0 115.238 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.6 tp -161.07 138.9 6.99 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.963 1.705 . . . . 0.0 109.882 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.74 157.57 43.76 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.383 2.722 . . . . 0.0 111.013 172.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -87.47 -27.36 22.72 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.83 147.98 30.18 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.585 1.154 . . . . 0.0 112.974 -164.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -82.08 161.04 23.04 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.906 -1.121 . . . . 0.0 111.683 172.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.41 139.45 58.2 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.814 1.246 . . . . 0.0 113.146 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -80.51 -17.21 52.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.219 1.008 . . . . 0.0 112.941 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 87.4 m -104.36 -36.6 7.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.013 1.325 . . . . 0.0 112.298 -168.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -129.87 -13.6 4.11 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.93 69.61 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.124 1.345 . . . . 0.0 116.011 163.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.64 -170.23 2.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.151 1.475 . . . . 0.0 113.026 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -133.23 95.55 3.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.614 1.565 . . . . 0.0 110.036 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.04 33.63 1.74 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.577 1.551 . . . . 0.0 112.111 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.03 134.53 57.18 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.942 -1.098 . . . . 0.0 113.211 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -119.65 135.6 54.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.134 1.774 . . . . 0.0 109.201 172.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -66.61 131.46 46.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.188 0.595 . . . . 0.0 110.414 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.31 169.65 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.328 1.851 . . . . 0.0 110.091 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 C-N-CA 124.498 1.047 . . . . 0.0 114.585 -177.149 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.1 145.88 12.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 129.924 3.289 . . . . 0.0 108.585 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -127.21 137.93 53.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.935 0.894 . . . . 0.0 112.506 -166.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.9 m -64.7 129.74 40.96 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.4 -0.812 . . . . 0.0 112.157 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 89.0 m -130.31 173.63 10.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.11 1.764 . . . . 0.0 111.723 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -91.2 143.77 26.32 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.484 0.714 . . . . 0.0 109.768 160.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.74 163.13 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 127.459 2.303 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.6 p -135.2 136.88 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.125 1.37 . . . . 0.0 110.876 -174.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.0 m -107.8 114.22 28.01 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.81 1.244 . . . . 0.0 108.987 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -75.28 116.68 16.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -78.52 -17.9 55.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.338 1.055 . . . . 0.0 112.001 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.6 m -82.55 -38.55 23.59 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.457 1.503 . . . . 0.0 111.729 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 80.2 m -100.99 -16.43 17.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 68.87 48.67 0.72 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.698 1.999 . . . . 0.0 112.686 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -135.74 160.91 37.07 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.918 1.287 . . . . 0.0 112.516 171.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 29.1 m -119.97 135.95 54.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.527 1.531 . . . . 0.0 110.393 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.83 178.82 9.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.724 1.61 . . . . 0.0 110.563 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -21.16 61.04 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.523 -1.361 . . . . 0.0 114.465 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -155.08 153.42 27.17 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 124.709 1.204 . . . . 0.0 113.224 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -80.6 154.3 20.7 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.456 2.771 . . . . 0.0 109.288 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -76.42 158.98 30.87 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.797 0.808 . . . . 0.0 112.084 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.5 -32.88 72.93 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.623 -0.673 . . . . 0.0 112.172 174.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.9 p -66.32 -43.35 86.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.314 1.046 . . . . 0.0 111.451 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.18 -41.97 96.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.046 0.938 . . . . 0.0 112.088 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.53 -40.88 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.797 0.839 . . . . 0.0 111.096 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 18.0 t -69.66 -43.27 72.91 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.161 0.891 . . . . 0.0 113.205 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.77 -5.74 49.42 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.608 1.163 . . . . 0.0 112.925 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 56.8 51.94 10.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.243 1.817 . . . . 0.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -60.79 153.66 23.85 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.484 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.77 138.34 32.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.533 0.733 . . . . 0.0 110.345 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.12 152.97 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 122.042 0.925 . . . . 0.0 112.783 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -118.25 144.56 45.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.929 1.291 . . . . 0.0 109.757 166.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -105.8 146.97 29.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.08 . . . . 0.0 112.231 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -148.28 177.37 9.48 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.457 2.303 . . . . 0.0 109.854 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -100.2 155.57 17.68 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.374 -1.454 . . . . 0.0 112.841 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -165.98 -156.22 9.25 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.675 1.607 . . . . 0.0 113.163 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.75 135.55 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.11 1.364 . . . . 0.0 110.518 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -100.11 150.26 22.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.713 1.605 . . . . 0.0 113.28 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -120.62 138.01 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.38 2.272 . . . . 0.0 108.971 -169.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -108.69 142.65 38.88 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.382 1.073 . . . . 0.0 112.216 -171.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -137.19 154.85 50.11 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.812 -173.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.84 142.72 47.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.912 1.685 . . . . 0.0 112.268 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.1 t -100.59 151.23 37.52 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.971 2.108 . . . . 0.0 111.173 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -46.76 -33.33 13.67 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 124.031 3.154 . . . . 0.0 116.607 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.4 p -77.58 -10.06 59.29 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 102.26 -9.03 55.93 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.177 1.846 . . . . 0.0 114.661 -176.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -62.62 154.82 27.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.882 1.341 . . . . 0.0 111.846 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -125.61 157.11 38.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.025 1.73 . . . . 0.0 111.784 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.7 t -155.34 173.86 16.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.649 1.18 . . . . 0.0 111.432 166.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.9 mt -139.78 146.54 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 126.441 1.896 . . . . 0.0 108.748 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.5 t -147.97 168.31 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.849 1.26 . . . . 0.0 111.055 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.7 mt -87.1 -17.53 32.61 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.182 -0.949 . . . . 0.0 112.238 165.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.55 161.26 17.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 112.246 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -64.07 -13.17 45.42 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.55 138.09 10.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 127.221 2.208 . . . . 0.0 108.308 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -71.13 166.11 30.24 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.347 2.698 . . . . 0.0 110.657 174.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 -8.29 12.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.664 1.186 . . . . 0.0 113.75 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -76.04 150.32 37.36 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 112.524 176.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -79.52 165.75 22.66 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.497 -0.752 . . . . 0.0 111.067 167.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 51.1 t -61.9 134.37 56.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.083 0.953 . . . . 0.0 112.791 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -74.09 -15.69 61.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.271 1.029 . . . . 0.0 113.769 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.2 m -106.24 -37.73 6.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 112.762 -171.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.56 -14.06 3.72 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.15 -3.65 76.78 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 164.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -177.23 6.6 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.338 1.569 . . . . 0.0 113.309 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -130.07 97.23 4.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.402 1.481 . . . . 0.0 110.028 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -144.05 27.21 1.46 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.959 1.703 . . . . 0.0 111.927 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -55.05 133.54 48.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.233 1.013 . . . . 0.0 112.947 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -114.11 132.31 56.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.916 1.686 . . . . 0.0 109.448 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -66.01 127.48 32.26 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.48 175.66 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.76 1.624 . . . . 0.0 110.589 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.783 0 C-N-CA 124.577 1.084 . . . . 0.0 114.514 -178.346 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -141.49 157.51 45.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.313 1.845 . . . . 0.0 111.026 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -133.05 148.84 52.21 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.1 0.96 . . . . 0.0 112.725 -168.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 40.9 p -77.55 146.65 36.18 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.787 0.803 . . . . 0.0 111.982 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.0 m -146.65 161.56 40.3 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.439 1.896 . . . . 0.0 110.194 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -78.32 136.93 37.82 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.51 164.26 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 127.69 2.396 . . . . 0.0 109.866 -171.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.1 p -135.0 130.8 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 125.778 1.631 . . . . 0.0 110.643 -172.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 58.9 m -97.97 123.45 41.97 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.09 119.04 15.73 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 164.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -21.51 56.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.238 -0.914 . . . . 0.0 112.276 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.7 m -74.43 -48.91 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.026 1.331 . . . . 0.0 111.102 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.12 -18.86 19.83 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 72.12 23.8 3.31 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 127.63 2.372 . . . . 0.0 114.556 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -100.24 158.17 16.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.361 1.064 . . . . 0.0 112.459 172.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.0 m -119.42 138.11 53.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.257 1.423 . . . . 0.0 111.092 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -154.77 175.44 13.71 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.733 2.013 . . . . 0.0 110.095 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -33.91 73.82 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.718 -1.239 . . . . 0.0 112.812 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -136.73 156.67 75.99 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.363 1.865 . . . . 0.0 111.282 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -69.41 153.01 71.14 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.802 2.334 . . . . 0.0 110.476 172.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.2 160.5 26.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.693 0.797 . . . . 0.0 112.878 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.34 -37.63 78.32 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.662 -0.648 . . . . 0.0 111.52 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.4 p -62.89 -42.53 99.81 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.676 1.19 . . . . 0.0 112.003 173.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.7 m -68.98 -37.98 79.07 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.864 0.866 . . . . 0.0 112.116 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.15 -42.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.972 0.509 . . . . 0.0 110.83 172.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 -42.27 76.55 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -80.57 -7.79 59.36 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.667 1.187 . . . . 0.0 113.132 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 19.1 m120 65.44 44.61 3.06 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.189 1.796 . . . . 0.0 112.367 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -61.52 156.33 19.83 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.64 0.776 . . . . 0.0 110.719 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.75 137.78 32.09 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.345 0.658 . . . . 0.0 110.598 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.25 163.67 29.45 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -139.52 137.18 35.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 112.172 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -102.2 151.52 22.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.446 1.098 . . . . 0.0 113.559 -171.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -169.59 -177.38 2.71 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.173 2.589 . . . . 0.0 109.539 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -113.71 149.78 34.27 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.011 -1.68 . . . . 0.0 113.416 -174.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -162.07 -167.14 22.07 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.482 1.515 . . . . 0.0 114.116 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.52 134.31 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.514 1.526 . . . . 0.0 109.846 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.02 164.44 12.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.988 1.315 . . . . 0.0 113.987 -175.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -133.36 124.92 28.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.689 1.996 . . . . 0.0 109.352 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -98.09 139.42 33.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 111.579 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -132.94 153.77 51.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.686 1.195 . . . . 0.0 113.347 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -133.27 143.59 49.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.375 1.87 . . . . 0.0 111.629 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.95 147.91 34.58 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.752 2.021 . . . . 0.0 110.337 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.98 -19.38 55.23 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.434 2.756 . . . . 0.0 115.898 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -76.19 -12.0 60.02 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.206 1.366 . . . . 0.0 113.964 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 105.6 -8.48 43.68 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.265 1.888 . . . . 0.0 114.243 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.18 153.69 41.76 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 118.928 1.364 . . . . 0.0 111.897 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.84 155.14 44.59 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.944 1.698 . . . . 0.0 111.511 -173.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -157.22 174.82 14.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.917 1.287 . . . . 0.0 111.271 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -140.79 147.06 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.793 1.637 . . . . 0.0 108.806 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.9 t -143.94 175.31 10.12 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.919 -1.113 . . . . 0.0 111.007 170.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.48 -18.74 21.96 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.548 0.739 . . . . 0.0 111.292 162.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -87.53 167.15 14.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.013 1.325 . . . . 0.0 112.31 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -66.87 -13.12 61.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -163.03 136.9 4.66 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.678 1.991 . . . . 0.0 109.283 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -73.56 155.37 50.04 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 123.243 2.629 . . . . 0.0 110.689 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -17.47 20.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -69.35 145.93 52.55 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.712 1.605 . . . . 0.0 112.729 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -79.92 162.5 24.93 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.307 -0.87 . . . . 0.0 110.709 163.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.2 140.1 58.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.638 1.175 . . . . 0.0 112.771 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.2 m -85.6 -10.26 56.11 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.3 m -102.34 -42.21 6.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.596 1.158 . . . . 0.0 111.989 -175.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.7 p -123.34 -14.81 7.35 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.65 -6.67 74.22 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 165.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -170.25 2.57 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.404 1.602 . . . . 0.0 113.199 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -129.33 101.42 5.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.532 1.533 . . . . 0.0 110.284 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -145.17 29.32 1.18 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 126.287 1.835 . . . . 0.0 112.731 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.13 137.63 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.78 -1.2 . . . . 0.0 113.18 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -122.99 133.05 54.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.611 1.964 . . . . 0.0 109.502 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.27 125.27 25.56 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.369 0.668 . . . . 0.0 110.218 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.4 m -131.09 176.76 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.494 1.518 . . . . 0.0 110.784 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.723 0 C-N-CA 124.421 1.01 . . . . 0.0 114.052 176.171 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.21 140.33 7.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 129.016 2.926 . . . . 0.0 108.45 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -118.91 145.05 46.06 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.726 0.774 . . . . 0.0 112.938 -159.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 50.2 p -76.59 151.6 36.22 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.7 0.762 . . . . 0.0 112.449 175.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -157.31 177.38 11.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 0.0 110.732 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.5 ttm105 -90.77 142.29 27.91 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.779 0.831 . . . . 0.0 109.611 167.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.62 162.68 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.31 1.844 . . . . 0.0 110.38 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.6 p -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.263 1.025 . . . . 0.0 111.477 -173.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 56.6 m -122.09 116.6 24.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.863 1.265 . . . . 0.0 108.806 162.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.0 t -69.96 120.79 16.21 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -80.46 -21.59 41.9 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.995 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.4 m -74.81 -47.2 31.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.063 1.345 . . . . 0.0 110.985 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -98.05 -16.14 19.73 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? 73.25 20.94 3.18 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.887 2.475 . . . . 0.0 114.56 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -97.04 156.49 16.34 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.473 1.109 . . . . 0.0 113.053 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 41.3 m -111.91 142.51 44.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.192 1.797 . . . . 0.0 109.58 173.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.6 168.72 25.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.899 1.28 . . . . 0.0 112.653 -168.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -72.22 -32.34 66.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 112.266 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.21 154.44 16.25 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 127.143 2.177 . . . . 0.0 110.453 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.57 151.96 42.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.644 2.229 . . . . 0.0 111.044 -176.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -69.78 161.96 28.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.903 0.881 . . . . 0.0 113.163 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.56 -36.76 81.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.238 -0.914 . . . . 0.0 112.15 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.2 p -63.87 -43.43 96.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.516 1.126 . . . . 0.0 111.553 171.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.0 -40.09 94.44 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.813 0.845 . . . . 0.0 112.181 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 87.0 t -71.42 -41.97 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.576 0.75 . . . . 0.0 111.665 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 113.015 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -76.66 -9.7 58.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.048 0.939 . . . . 0.0 112.604 173.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 58.7 52.18 7.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.598 1.559 . . . . 0.0 112.256 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.43 157.45 11.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.225 1.01 . . . . 0.0 110.487 169.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -84.53 137.88 33.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.704 -0.623 . . . . 0.0 110.375 173.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.81 148.09 41.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.475 0.655 . . . . 0.0 112.673 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.8 123.11 46.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.235 1.414 . . . . 0.0 109.775 166.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -96.11 149.81 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.805 0.842 . . . . 0.0 111.948 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -161.99 177.56 9.66 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.27 1.828 . . . . 0.0 110.362 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.29 154.99 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.84 -1.162 . . . . 0.0 112.374 174.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.29 -176.19 30.07 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.762 1.649 . . . . 0.0 112.855 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.1 t -126.95 124.61 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.005 1.322 . . . . 0.0 109.542 174.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -82.37 141.15 33.05 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.866 1.266 . . . . 0.0 112.41 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -111.19 134.69 52.59 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 126.14 1.776 . . . . 0.0 109.919 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -100.55 141.85 32.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.945 1.298 . . . . 0.0 111.109 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.55 155.11 50.99 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.206 1.002 . . . . 0.0 112.876 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -138.45 142.41 39.48 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.873 1.669 . . . . 0.0 111.688 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -100.27 147.79 34.01 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 127.015 2.126 . . . . 0.0 110.164 172.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.29 -18.87 47.53 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.416 2.744 . . . . 0.0 115.853 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.9 p -76.53 -12.43 60.03 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 120.62 1.555 . . . . 0.0 114.316 172.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.9 -8.51 39.33 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 126.564 2.03 . . . . 0.0 114.538 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -65.66 155.08 37.03 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.076 1.438 . . . . 0.0 111.832 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -131.45 157.89 42.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.979 1.712 . . . . 0.0 112.147 -171.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.4 t -160.43 173.51 15.49 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.416 1.487 . . . . 0.0 111.357 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 24.9 mt -139.22 142.28 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.661 1.984 . . . . 0.0 108.684 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -143.75 161.19 39.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.495 0.718 . . . . 0.0 111.793 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.83 -14.53 47.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.754 0.821 . . . . 0.0 112.535 166.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -91.31 166.17 13.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.253 1.421 . . . . 0.0 112.404 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -63.16 -14.98 55.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.514 1.526 . . . . 0.0 114.672 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.0 tp -162.28 139.11 6.12 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 127.246 2.218 . . . . 0.0 109.09 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.56 153.92 54.93 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.998 2.465 . . . . 0.0 110.78 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.25 -21.33 20.39 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 147.85 32.51 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.948 1.299 . . . . 0.0 113.214 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -80.8 164.06 22.99 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.263 -0.898 . . . . 0.0 111.692 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.74 139.95 58.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.278 1.031 . . . . 0.0 112.972 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 58.3 m -86.86 -11.86 49.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.263 1.025 . . . . 0.0 112.928 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.2 m -102.3 -41.14 6.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.334 1.454 . . . . 0.0 112.142 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -125.31 -13.62 6.63 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.53 -8.96 71.7 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 164.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -171.89 3.36 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.864 1.332 . . . . 0.0 113.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -129.34 96.3 4.26 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.187 1.395 . . . . 0.0 110.07 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.82 31.53 1.62 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.814 1.645 . . . . 0.0 112.125 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -58.94 134.21 56.74 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.086 -1.009 . . . . 0.0 112.186 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -119.91 135.88 54.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.768 1.627 . . . . 0.0 108.837 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -71.57 131.18 42.87 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.971 0.508 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.7 169.63 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.067 1.747 . . . . 0.0 110.993 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.773 0 C-N-CA 124.511 1.053 . . . . 0.0 113.744 175.624 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 . . . . . 0 CA--C 1.552 1.056 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.69 152.78 48.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.349 1.86 . . . . 0.0 109.897 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -141.55 148.96 40.17 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.631 -0.668 . . . . 0.0 112.743 -165.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 61.0 p -81.32 159.76 24.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.498 1.119 . . . . 0.0 113.597 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -161.04 178.02 9.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.035 1.734 . . . . 0.0 111.707 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -91.39 143.11 26.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.509 0.724 . . . . 0.0 109.795 163.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 32.7 m -137.94 170.78 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 127.088 2.155 . . . . 0.0 110.215 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.5 p -141.44 141.65 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.557 1.143 . . . . 0.0 111.346 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -108.61 116.81 32.68 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.753 1.221 . . . . 0.0 108.831 165.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.4 t -74.39 119.71 18.96 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 166.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.95 -18.53 50.19 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.242 1.017 . . . . 0.0 112.417 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -81.34 -40.04 24.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.445 1.098 . . . . 0.0 111.692 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 73.4 m -100.8 -17.45 16.9 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 74.27 21.15 2.49 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 127.75 2.42 . . . . 0.0 113.499 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -96.55 158.46 15.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.514 -1.366 . . . . 0.0 112.864 174.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.2 m -117.48 135.15 54.12 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 109.42 171.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.1 -178.84 7.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.811 1.244 . . . . 0.0 111.795 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.7 -30.05 65.25 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.22 -0.925 . . . . 0.0 113.148 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -160.26 157.02 24.18 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 126.162 1.785 . . . . 0.0 111.605 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.78 152.76 37.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.462 2.108 . . . . 0.0 110.005 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -70.32 159.05 34.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.587 0.708 . . . . 0.0 111.947 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.84 -32.94 72.32 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 111.74 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.6 p -65.63 -43.67 88.81 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.664 1.186 . . . . 0.0 111.697 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.1 m -63.67 -40.85 97.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.433 1.015 . . . . 0.0 112.012 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.87 -42.75 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.693 0.797 . . . . 0.0 111.236 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.9 t -70.33 -42.06 72.4 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.036 0.934 . . . . 0.0 113.159 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.38 -4.81 44.28 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.423 1.089 . . . . 0.0 112.507 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 58.89 47.32 12.61 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.769 1.628 . . . . 0.0 112.18 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -60.76 152.16 27.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.513 1.125 . . . . 0.0 110.622 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -83.81 138.44 33.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.389 0.676 . . . . 0.0 109.939 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.35 153.24 42.52 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -115.99 128.58 55.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.086 1.354 . . . . 0.0 109.511 169.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.16 150.79 19.99 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.366 1.066 . . . . 0.0 111.901 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -164.38 178.82 7.19 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.538 1.935 . . . . 0.0 110.356 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -95.52 155.07 16.9 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.086 -1.008 . . . . 0.0 112.953 174.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.49 -176.86 30.03 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.648 1.594 . . . . 0.0 113.502 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 65.8 t -130.95 134.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.849 1.66 . . . . 0.0 109.149 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -104.46 148.78 26.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -172.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -114.98 132.65 56.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.539 2.336 . . . . 0.0 109.353 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -100.23 145.46 28.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.08 0.952 . . . . 0.0 111.336 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -135.73 153.45 51.57 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.717 0.807 . . . . 0.0 112.951 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -132.18 142.69 49.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.912 1.685 . . . . 0.0 112.125 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.77 150.2 36.52 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.461 1.905 . . . . 0.0 111.131 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.55 -24.0 59.56 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.399 2.732 . . . . 0.0 115.714 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 15.6 p -75.51 -12.77 60.3 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.75 -9.53 37.6 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.756 1.646 . . . . 0.0 114.78 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -65.54 155.23 36.35 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.724 1.262 . . . . 0.0 112.315 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -128.5 158.7 37.67 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.388 1.475 . . . . 0.0 111.662 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.1 t -157.94 174.99 14.42 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.642 1.577 . . . . 0.0 110.794 170.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.89 143.83 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.789 1.636 . . . . 0.0 108.985 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -140.57 165.95 26.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.227 1.011 . . . . 0.0 111.7 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.81 -9.08 44.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.503 1.121 . . . . 0.0 112.013 165.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.66 167.97 10.63 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.625 1.57 . . . . 0.0 111.509 174.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.49 -13.51 58.98 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.931 1.292 . . . . 0.0 114.125 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.7 tp -155.68 138.63 10.64 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.093 1.757 . . . . 0.0 109.792 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 154.62 54.04 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.552 2.835 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.03 -13.17 39.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 155.9 18.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.585 1.554 . . . . 0.0 113.702 -167.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -81.31 164.91 21.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.2 1.0 . . . . 0.0 111.83 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.34 134.24 56.73 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.382 -0.824 . . . . 0.0 112.313 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.0 m -73.21 -16.96 61.4 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.206 1.002 . . . . 0.0 113.06 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 93.4 m -107.91 -40.62 5.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 112.21 -167.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.87 -11.36 7.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.12 -7.06 81.33 Favored Glycine 0 N--CA 1.474 1.213 0 C-N-CA 125.189 1.376 . . . . 0.0 116.403 163.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -173.22 4.25 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 118.799 1.299 . . . . 0.0 112.615 178.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -129.4 97.25 4.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.239 1.416 . . . . 0.0 109.782 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -141.65 30.64 1.68 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.764 1.625 . . . . 0.0 112.215 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -60.2 132.92 55.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.096 0.959 . . . . 0.0 113.29 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -111.25 134.34 52.92 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.27 1.828 . . . . 0.0 109.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.74 129.24 37.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.972 0.415 . . . . 0.0 110.397 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.0 m -133.22 177.21 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.175 1.79 . . . . 0.0 110.488 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.135 0 C-N-CA 124.459 1.028 . . . . 0.0 113.986 176.191 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 . . . . . 0 CA--C 1.554 1.099 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -151.09 160.71 43.73 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.759 2.423 . . . . 0.0 109.537 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -150.2 146.98 27.16 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 15.1 m -70.43 150.99 45.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.546 1.138 . . . . 0.0 112.713 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.3 t -151.15 161.06 43.42 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.218 1.407 . . . . 0.0 110.511 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -80.84 138.67 36.22 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 160.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.9 167.95 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 -170.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.28 137.79 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.883 1.273 . . . . 0.0 111.061 -171.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 82.7 m -106.8 117.73 34.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.446 1.098 . . . . 0.0 108.336 164.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.05 117.79 16.25 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.9 -23.93 58.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.199 1.0 . . . . 0.0 111.876 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -75.7 -46.78 29.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.931 1.292 . . . . 0.0 111.158 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.8 m -96.1 -17.59 20.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.47 30.87 2.4 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.599 2.359 . . . . 0.0 114.105 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -111.08 157.53 19.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.552 1.141 . . . . 0.0 112.285 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.2 m -118.86 134.21 55.31 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.664 1.586 . . . . 0.0 110.38 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.97 -179.26 7.39 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.517 1.927 . . . . 0.0 110.827 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -22.34 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.702 -1.249 . . . . 0.0 113.82 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -161.28 153.47 16.72 Favored Pre-proline 0 N--CA 1.478 0.971 0 C-N-CA 125.515 1.526 . . . . 0.0 113.148 -175.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -77.39 153.62 31.22 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.77 2.314 . . . . 0.0 110.493 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -71.49 161.21 31.4 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.168 0.985 . . . . 0.0 112.398 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.23 -39.35 75.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.241 -0.912 . . . . 0.0 111.641 173.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 9.6 p -66.54 -39.37 88.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.578 1.151 . . . . 0.0 112.021 173.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 91.0 m -64.47 -39.36 93.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.865 0.866 . . . . 0.0 111.657 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.31 -41.69 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 72.2 m -73.46 -39.13 65.16 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -77.44 -17.36 58.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.692 0.797 . . . . 0.0 111.943 168.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.82 49.43 0.37 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.638 1.975 . . . . 0.0 112.354 172.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -57.42 155.82 8.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.803 1.641 . . . . 0.0 110.89 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.63 136.68 35.53 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.15 0.58 . . . . 0.0 109.889 172.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.97 152.07 46.02 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.5 0.72 . . . . 0.0 112.801 176.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -114.11 126.27 54.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.1 1.36 . . . . 0.0 109.744 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -95.0 149.39 21.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.096 0.959 . . . . 0.0 112.391 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.33 -170.78 2.17 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.791 2.036 . . . . 0.0 110.413 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -110.28 152.13 26.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.113 -0.992 . . . . 0.0 113.312 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.87 -169.39 21.46 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.975 1.75 . . . . 0.0 112.7 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.14 137.83 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.482 1.513 . . . . 0.0 109.408 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -108.68 144.01 37.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.837 1.255 . . . . 0.0 113.416 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.83 151.2 38.5 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.834 2.054 . . . . 0.0 109.698 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -110.38 139.59 45.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.224 1.41 . . . . 0.0 111.66 -171.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.26 151.82 51.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.73 0.812 . . . . 0.0 112.992 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.87 141.4 46.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.918 1.687 . . . . 0.0 111.733 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.3 t -96.56 148.25 34.16 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 126.226 1.81 . . . . 0.0 110.337 172.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.59 -19.01 42.85 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 123.356 2.704 . . . . 0.0 116.333 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.5 p -77.9 -12.18 59.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.091 1.314 . . . . 0.0 114.368 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.37 -9.8 38.87 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.386 1.946 . . . . 0.0 114.831 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.74 155.22 30.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.655 1.727 . . . . 0.0 112.025 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -130.27 156.11 45.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.416 1.486 . . . . 0.0 111.845 -173.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -158.54 173.57 16.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.233 1.413 . . . . 0.0 112.007 169.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.6 mt -139.95 145.18 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 127.018 2.127 . . . . 0.0 108.329 -174.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.7 t -148.53 162.23 40.06 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.974 -1.079 . . . . 0.0 111.629 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 98.1 mt -81.47 -20.97 39.1 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.57 -0.706 . . . . 0.0 112.006 167.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -89.01 164.01 15.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.879 1.272 . . . . 0.0 111.594 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -11.18 22.28 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.2 tp -156.56 135.08 7.51 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 126.405 1.882 . . . . 0.0 109.857 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.82 157.01 61.74 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.496 2.798 . . . . 0.0 111.867 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -16.93 31.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.11 150.84 22.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.591 1.557 . . . . 0.0 113.469 -167.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -81.62 162.95 22.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.298 1.039 . . . . 0.0 111.658 173.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.98 137.84 58.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.683 1.193 . . . . 0.0 113.068 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 3.7 p -85.91 -10.13 55.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.737 1.615 . . . . 0.0 113.427 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 97.6 m -103.97 -40.85 6.05 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.684 1.194 . . . . 0.0 112.688 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.7 p -125.93 -14.42 6.12 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.76 -9.38 68.54 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.123 1.344 . . . . 0.0 116.438 164.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.38 -171.01 3.18 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.768 1.284 . . . . 0.0 113.402 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -132.34 94.58 3.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.672 1.589 . . . . 0.0 109.941 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -140.23 31.13 1.95 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.69 1.596 . . . . 0.0 112.314 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -59.06 130.62 47.91 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.023 -1.048 . . . . 0.0 112.934 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -108.23 132.78 53.31 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.102 1.761 . . . . 0.0 108.988 171.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -75.8 122.46 24.1 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.59 166.1 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.838 1.655 . . . . 0.0 111.778 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.768 0 C-N-CA 123.52 0.581 . . . . 0.0 114.075 -177.537 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 135.5 34.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.17 1.788 . . . . 0.0 107.572 166.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -135.79 142.2 44.86 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -148.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 19.7 m -64.33 142.27 58.48 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.767 0.827 . . . . 0.0 112.701 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.37 160.44 42.65 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.83 1.252 . . . . 0.0 111.617 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -87.12 138.99 31.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.526 1.13 . . . . 0.0 110.188 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 14.0 m -140.44 168.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.632 1.973 . . . . 0.0 110.646 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.23 135.65 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.319 1.448 . . . . 0.0 110.606 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 29.7 m -113.14 119.32 37.42 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.269 1.428 . . . . 0.0 110.369 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.9 120.22 21.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.944 0.897 . . . . 0.0 109.376 169.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -80.09 -7.79 59.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.131 . . . . 0.0 112.544 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.7 m -89.98 -47.5 7.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.564 1.146 . . . . 0.0 110.606 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.6 m -96.96 -19.15 18.98 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -172.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 73.14 35.57 0.93 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.566 1.946 . . . . 0.0 114.356 173.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -106.54 161.54 14.52 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.66 1.184 . . . . 0.0 112.274 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 33.6 m -124.07 121.16 34.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.804 1.242 . . . . 0.0 108.711 166.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -129.25 172.97 10.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.584 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -38.92 86.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.921 0.889 . . . . 0.0 111.566 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.98 156.43 70.49 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.814 2.045 . . . . 0.0 110.665 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.42 151.14 25.75 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.486 2.124 . . . . 0.0 110.441 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.43 147.99 51.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.228 0.611 . . . . 0.0 111.769 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.67 -37.11 77.86 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.243 -0.91 . . . . 0.0 111.584 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 4.4 p -68.61 -37.41 79.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 112.821 174.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 73.3 m -66.55 -37.65 85.44 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.346 0.976 . . . . 0.0 112.223 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.48 -47.09 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.795 0.838 . . . . 0.0 111.151 172.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 34.1 m -72.74 -36.32 67.71 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -77.54 -10.32 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.982 0.81 . . . . 0.0 112.835 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.83 39.94 1.82 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.16 1.784 . . . . 0.0 112.762 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -59.65 153.0 21.08 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.796 1.238 . . . . 0.0 110.848 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -84.39 125.58 32.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.31 0.644 . . . . 0.0 110.906 173.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.66 149.06 52.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.564 1.146 . . . . 0.0 111.936 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -110.29 132.95 53.72 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.882 1.273 . . . . 0.0 110.308 171.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -91.45 149.31 21.76 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.841 1.257 . . . . 0.0 111.796 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -168.32 -175.67 2.64 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.652 1.981 . . . . 0.0 111.422 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.0 158.04 18.67 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.884 -1.135 . . . . 0.0 112.828 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.63 -153.53 7.1 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.111 2.291 . . . . 0.0 111.982 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 138.16 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.748 1.619 . . . . 0.0 110.553 174.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -97.36 139.49 33.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.661 1.184 . . . . 0.0 112.56 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -111.44 137.71 48.88 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.687 2.395 . . . . 0.0 108.577 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -102.34 145.04 30.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 110.052 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -135.91 153.2 51.51 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.791 0.837 . . . . 0.0 112.916 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -134.46 141.31 46.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.962 1.705 . . . . 0.0 111.283 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.46 148.44 34.96 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 126.91 2.084 . . . . 0.0 110.295 172.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.41 -20.69 41.46 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.122 3.215 . . . . 0.0 116.345 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.3 p -76.79 -12.37 59.97 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.129 1.331 . . . . 0.0 113.824 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.17 -7.78 41.02 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.511 2.005 . . . . 0.0 114.841 -177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -65.97 154.78 38.48 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.848 1.324 . . . . 0.0 112.185 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -130.88 157.39 43.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.949 1.7 . . . . 0.0 112.141 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -159.93 172.93 16.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.657 1.583 . . . . 0.0 111.29 170.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.9 mt -142.18 140.67 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.15 1.78 . . . . 0.0 108.62 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.3 t -155.13 165.62 36.14 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.077 -1.015 . . . . 0.0 112.252 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.79 -15.94 25.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.182 1.793 . . . . 0.0 111.743 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -85.8 164.38 17.6 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.423 1.489 . . . . 0.0 111.45 170.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.62 59.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.53 125.29 1.38 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 126.824 2.049 . . . . 0.0 108.737 174.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.54 146.61 62.07 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.075 2.517 . . . . 0.0 110.859 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -5.08 58.4 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.6 154.55 17.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.614 1.566 . . . . 0.0 113.528 -175.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -79.47 162.91 25.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 112.541 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.24 135.9 57.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.994 0.902 . . . . 0.0 112.126 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 8.0 p -82.25 -8.95 59.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.227 1.411 . . . . 0.0 114.1 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 95.0 m -104.95 -44.71 4.74 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.699 1.2 . . . . 0.0 112.11 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -121.82 -14.19 8.13 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.67 -6.29 77.2 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 165.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 -167.45 1.88 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.046 1.423 . . . . 0.0 113.055 177.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -132.87 96.55 3.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.394 1.478 . . . . 0.0 110.142 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -144.11 32.05 1.24 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.713 1.605 . . . . 0.0 112.271 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -60.26 140.83 56.83 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.153 -0.967 . . . . 0.0 113.051 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -127.69 132.6 49.64 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.356 1.862 . . . . 0.0 109.232 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 58.8 ttp85 -67.43 129.35 39.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.271 0.628 . . . . 0.0 109.96 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.34 170.88 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.271 1.829 . . . . 0.0 110.152 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.85 0 C-N-CA 124.116 0.865 . . . . 0.0 113.778 -179.706 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 123.155 1.455 . . . . 0.0 113.828 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -169.93 165.92 9.5 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 128.012 2.525 . . . . 0.0 111.585 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -151.21 150.46 30.63 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.874 0.87 . . . . 0.0 111.395 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 57.8 p -81.45 149.33 28.82 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -162.96 159.17 23.21 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.528 1.531 . . . . 0.0 110.812 -173.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -73.41 140.86 46.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.738 0.415 . . . . 0.0 111.054 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.16 167.28 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.474 1.909 . . . . 0.0 110.638 -170.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.3 p -145.89 133.43 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.571 0.748 . . . . 0.0 112.597 -169.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 46.4 m -103.84 115.13 29.91 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.569 1.548 . . . . 0.0 109.434 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.21 123.38 23.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 165.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -79.41 -23.64 43.07 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 112.314 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 25.7 m -75.95 -47.06 26.63 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.065 1.346 . . . . 0.0 111.026 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.5 m -96.17 -14.57 22.68 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.5 1.12 . . . . 0.0 113.27 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 68.65 19.35 8.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.467 2.307 . . . . 0.0 114.029 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -85.14 164.78 17.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.05 -1.031 . . . . 0.0 112.64 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.7 m -128.48 121.76 29.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.672 1.189 . . . . 0.0 109.3 167.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -133.52 177.71 7.49 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.143 1.777 . . . . 0.0 111.339 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -73.75 -30.87 63.04 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.367 1.067 . . . . 0.0 112.943 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.68 157.38 58.7 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.904 2.082 . . . . 0.0 110.754 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.66 144.74 50.04 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.86 1.707 . . . . 0.0 109.281 172.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.13 154.58 34.2 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.886 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -62.32 -33.06 73.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.259 1.024 . . . . 0.0 111.191 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 13.2 p -64.11 -45.29 89.27 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.723 1.209 . . . . 0.0 111.321 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.6 -35.81 77.85 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.415 1.086 . . . . 0.0 112.34 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.7 -43.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.674 171.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.4 t -69.09 -44.11 73.17 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -79.11 -5.73 54.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.379 . . . . 0.0 112.81 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 57.22 49.83 12.73 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.065 1.746 . . . . 0.0 112.596 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -62.27 155.73 24.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.823 0.849 . . . . 0.0 110.427 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.36 135.94 33.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.501 -0.75 . . . . 0.0 110.403 172.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 150.62 50.68 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -113.02 121.96 46.2 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.16 1.384 . . . . 0.0 110.205 170.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -83.07 147.34 28.18 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.275 1.03 . . . . 0.0 112.212 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -161.38 -173.35 3.77 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.437 1.895 . . . . 0.0 110.338 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -108.28 145.32 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.178 -0.951 . . . . 0.0 111.996 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -148.87 -163.86 11.17 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 126.166 1.841 . . . . 0.0 112.996 -177.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 88.1 t -136.46 138.53 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.196 1.398 . . . . 0.0 110.456 -178.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -115.34 148.37 39.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.279 1.431 . . . . 0.0 114.282 -175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.77 153.97 44.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.027 2.131 . . . . 0.0 111.028 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -116.7 135.71 53.55 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.135 1.374 . . . . 0.0 111.198 -166.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.05 146.51 50.41 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.88 143.39 51.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.61 1.564 . . . . 0.0 111.976 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.4 t -100.41 147.85 34.14 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 126.594 1.958 . . . . 0.0 110.522 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.31 -19.47 43.02 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 123.634 2.889 . . . . 0.0 116.462 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -75.5 -13.75 60.39 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 120.464 1.484 . . . . 0.0 113.891 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.19 -7.45 32.7 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.876 2.179 . . . . 0.0 114.297 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -65.5 153.29 41.84 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.103 1.452 . . . . 0.0 112.45 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -133.1 147.93 52.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.162 1.785 . . . . 0.0 111.862 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.3 t -154.14 169.42 23.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.573 1.549 . . . . 0.0 111.55 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.1 mt -132.07 144.75 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.14 1.776 . . . . 0.0 108.396 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 14.2 t -140.93 160.63 39.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.386 -0.821 . . . . 0.0 112.197 172.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.6 mt -84.03 -25.54 29.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.146 0.979 . . . . 0.0 111.687 168.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -85.25 165.85 17.0 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.027 1.331 . . . . 0.0 112.407 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -61.13 -12.8 13.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.569 1.547 . . . . 0.0 115.127 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.0 tp -164.49 142.56 5.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.692 2.397 . . . . 0.0 108.558 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.21 176.83 6.57 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 123.203 2.602 . . . . 0.0 110.913 170.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.31 4.62 1.61 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 8.48 43.3 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 -168.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 29.3 m80 73.99 171.41 0.29 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.545 2.338 . . . . 0.0 112.687 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.41 132.72 42.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 111.899 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 5.8 m -71.36 -17.93 62.4 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.873 1.269 . . . . 0.0 113.106 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 -40.61 4.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.818 1.247 . . . . 0.0 112.87 -167.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -123.07 -12.62 7.91 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.48 -8.75 78.57 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.696 1.141 . . . . 0.0 115.857 163.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.66 -167.09 1.37 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.997 1.398 . . . . 0.0 112.789 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.06 90.06 2.4 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.249 1.419 . . . . 0.0 110.292 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -136.36 26.48 3.17 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.566 1.546 . . . . 0.0 113.018 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.77 131.89 47.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.698 1.199 . . . . 0.0 113.124 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -121.21 132.04 54.59 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.754 2.022 . . . . 0.0 109.472 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -68.04 125.61 26.88 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.838 -0.539 . . . . 0.0 110.542 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 21.4 m -109.77 170.25 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.181 1.792 . . . . 0.0 110.984 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 C-N-CA 124.683 1.135 . . . . 0.0 114.621 -172.651 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -142.33 148.4 37.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.127 2.571 . . . . 0.0 107.561 169.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -150.77 149.95 30.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -155.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.2 m -78.63 135.13 37.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.998 0.919 . . . . 0.0 112.729 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 31.6 m -142.03 167.0 23.17 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.449 1.9 . . . . 0.0 110.453 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -73.7 139.31 45.25 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.722 -0.611 . . . . 0.0 110.117 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -137.48 168.85 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 128.606 2.763 . . . . 0.0 109.684 -171.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 13.9 p -137.57 141.91 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 111.508 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 96.1 m -113.01 117.0 30.81 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.053 1.341 . . . . 0.0 108.531 167.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.76 120.14 21.51 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -78.51 -20.92 49.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.317 1.047 . . . . 0.0 112.64 177.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 32.9 m -76.78 -43.78 35.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.445 1.098 . . . . 0.0 111.148 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.15 -17.55 17.35 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.731 1.212 . . . . 0.0 114.234 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 72.51 22.32 3.39 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.452 2.301 . . . . 0.0 113.517 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -88.3 165.33 15.07 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.09 -1.006 . . . . 0.0 112.77 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 135.92 54.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.305 1.442 . . . . 0.0 107.86 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -155.27 174.43 15.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.551 1.14 . . . . 0.0 112.313 -170.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.42 -27.39 52.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.814 0.846 . . . . 0.0 112.305 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -165.4 152.08 9.11 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 127.523 2.329 . . . . 0.0 110.742 -175.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -74.54 155.01 45.22 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.54 2.16 . . . . 0.0 110.538 -177.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -69.3 159.91 32.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.306 1.05 . . . . 0.0 112.381 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -58.26 -38.33 76.71 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.157 0.983 . . . . 0.0 111.121 172.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 6.1 p -69.53 -37.44 77.12 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 112.567 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.2 m -65.96 -41.35 91.35 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.913 0.779 . . . . 0.0 111.566 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.54 -42.91 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.64 0.776 . . . . 0.0 111.031 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.0 t -67.92 -40.1 83.44 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -80.27 -7.59 59.08 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.496 1.118 . . . . 0.0 113.085 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 59.57 49.69 8.18 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.159 1.783 . . . . 0.0 112.323 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -60.34 153.7 22.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.106 0.962 . . . . 0.0 110.635 170.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -85.17 130.25 34.64 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.657 -0.652 . . . . 0.0 110.039 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.12 152.06 49.56 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.811 0.844 . . . . 0.0 113.019 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -117.86 130.79 56.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.179 1.392 . . . . 0.0 110.322 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -99.88 149.14 23.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.811 1.244 . . . . 0.0 112.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -167.02 179.96 4.94 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.48 1.912 . . . . 0.0 110.682 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -95.44 147.9 23.04 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 120.808 -1.182 . . . . 0.0 112.27 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.29 163.54 34.48 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.776 1.655 . . . . 0.0 113.466 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.66 132.66 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.025 0.913 . . . . 0.0 111.24 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -103.13 148.12 26.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.425 1.49 . . . . 0.0 113.255 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.08 149.36 51.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.663 1.985 . . . . 0.0 109.993 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -108.59 151.05 26.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.336 1.054 . . . . 0.0 111.08 -166.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -139.15 149.01 43.97 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.707 0.803 . . . . 0.0 112.535 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -131.4 139.46 49.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.224 1.409 . . . . 0.0 111.751 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.8 t -100.03 148.37 34.75 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 126.405 1.882 . . . . 0.0 110.334 174.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.27 -21.13 50.81 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.554 2.836 . . . . 0.0 115.963 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.7 p -75.81 -10.64 59.6 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 120.281 1.401 . . . . 0.0 114.095 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.44 -8.38 47.93 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.556 2.027 . . . . 0.0 114.493 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -64.33 153.64 37.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.834 1.317 . . . . 0.0 112.368 175.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -129.71 153.06 48.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.995 1.718 . . . . 0.0 111.745 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.6 t -157.07 -178.78 7.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.184 1.394 . . . . 0.0 111.414 169.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.62 146.65 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.894 2.078 . . . . 0.0 108.13 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 12.6 t -136.7 157.79 45.94 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.236 -0.915 . . . . 0.0 111.248 169.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.42 -20.8 29.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.959 0.904 . . . . 0.0 111.701 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.27 169.77 10.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.866 1.666 . . . . 0.0 111.784 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -58.26 -15.62 10.83 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.7 tp -159.32 142.5 10.53 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 126.43 1.892 . . . . 0.0 109.155 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.76 164.66 34.73 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.317 2.678 . . . . 0.0 111.644 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -114.57 -9.69 12.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.544 1.538 . . . . 0.0 114.027 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -88.51 -16.14 33.45 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -153.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.6 m80 70.94 162.29 0.24 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.087 2.155 . . . . 0.0 112.139 -167.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.3 135.58 54.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.602 1.161 . . . . 0.0 112.183 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 26.0 p -83.62 -9.4 58.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.014 1.326 . . . . 0.0 113.718 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 89.3 m -103.0 -46.82 4.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.882 1.273 . . . . 0.0 112.18 -178.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -120.16 -13.88 8.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.62 -11.0 72.06 Favored Glycine 0 N--CA 1.471 0.993 0 C-N-CA 125.086 1.327 . . . . 0.0 116.333 165.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.53 -171.7 3.73 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.016 1.408 . . . . 0.0 113.09 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -128.61 97.54 4.72 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.452 1.501 . . . . 0.0 110.432 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -142.63 29.49 1.55 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.203 1.801 . . . . 0.0 111.886 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -61.33 128.63 37.31 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.231 1.012 . . . . 0.0 112.924 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -107.29 135.37 48.92 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.304 1.842 . . . . 0.0 109.979 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.35 119.57 11.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.145 0.978 . . . . 0.0 110.182 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.09 170.53 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.781 1.232 . . . . 0.0 110.693 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.511 0 C-N-CA 124.07 0.843 . . . . 0.0 114.551 -171.833 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.13 130.37 43.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.435 0.694 . . . . 0.0 109.985 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -143.01 141.23 31.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.346 0.594 . . . . 0.0 112.356 -155.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.8 m -66.26 143.16 57.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.01 0.924 . . . . 0.0 113.193 -175.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.5 t -151.8 161.38 42.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.974 1.31 . . . . 0.0 111.195 -173.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -79.07 140.02 37.98 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 166.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.5 m -143.06 170.39 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.857 2.063 . . . . 0.0 110.21 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.64 140.94 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.404 0.681 . . . . 0.0 112.675 -170.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 98.6 m -115.22 120.45 39.75 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.222 1.409 . . . . 0.0 109.856 171.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.5 t -78.96 124.35 28.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.161 0.984 . . . . 0.0 109.323 166.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -81.63 -18.93 42.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.935 0.894 . . . . 0.0 112.888 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.4 m -79.06 -47.2 16.61 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.741 1.217 . . . . 0.0 111.125 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 65.6 m -94.37 -20.23 19.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.559 1.144 . . . . 0.0 113.427 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 16.1 mttm 78.57 20.21 0.86 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.628 2.371 . . . . 0.0 113.925 166.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -102.94 157.67 16.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.962 1.305 . . . . 0.0 112.442 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.3 m -120.67 132.06 54.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.643 1.577 . . . . 0.0 109.542 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -158.51 -175.89 5.58 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.92 1.688 . . . . 0.0 111.86 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.41 -28.72 64.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.929 1.292 . . . . 0.0 113.359 -175.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -157.57 154.48 25.3 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.889 2.076 . . . . 0.0 111.529 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.71 155.15 44.35 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.797 2.332 . . . . 0.0 109.853 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.03 159.19 35.19 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.571 0.7 . . . . 0.0 112.356 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.47 -33.88 74.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.405 -0.809 . . . . 0.0 111.536 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -65.66 -42.27 91.55 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.77 1.228 . . . . 0.0 111.943 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.95 -41.17 95.72 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.264 1.026 . . . . 0.0 111.538 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.58 -45.67 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.802 0.841 . . . . 0.0 111.02 175.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.5 t -70.66 -44.1 67.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.952 0.901 . . . . 0.0 113.191 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -80.41 -5.37 56.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.298 1.039 . . . . 0.0 112.823 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.84 42.27 1.07 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.886 1.674 . . . . 0.0 113.435 166.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -60.92 152.65 26.99 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.553 1.141 . . . . 0.0 110.927 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.45 118.48 24.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.507 0.723 . . . . 0.0 110.024 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.77 151.56 46.55 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.117 0.967 . . . . 0.0 112.535 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -112.89 118.77 35.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.902 1.281 . . . . 0.0 109.804 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -82.92 148.02 27.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.212 1.005 . . . . 0.0 111.257 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -162.77 -176.38 4.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.005 1.722 . . . . 0.0 110.708 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -99.9 148.33 24.58 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.114 0.966 . . . . 0.0 112.567 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.67 -156.77 7.78 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.942 2.211 . . . . 0.0 111.757 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.83 141.61 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.136 1.374 . . . . 0.0 111.509 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -121.01 154.91 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 113.585 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.52 155.42 48.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.092 2.157 . . . . 0.0 110.847 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -117.17 137.8 52.09 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.614 1.566 . . . . 0.0 111.467 -167.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -135.65 150.67 49.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 112.765 -170.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -129.26 145.54 51.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.402 1.881 . . . . 0.0 111.494 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.1 t -97.57 150.79 37.16 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 127.007 2.123 . . . . 0.0 110.967 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.62 -23.33 56.6 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.388 2.725 . . . . 0.0 115.907 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.19 -12.69 60.14 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.14 1.336 . . . . 0.0 114.266 173.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.67 -14.57 35.12 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.751 2.12 . . . . 0.0 114.613 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.52 154.32 21.18 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.878 1.339 . . . . 0.0 112.334 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -129.71 157.61 41.68 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.297 1.439 . . . . 0.0 112.159 -171.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -158.18 174.42 15.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.254 1.422 . . . . 0.0 111.513 170.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.5 mt -137.5 145.13 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 127.122 2.169 . . . . 0.0 107.993 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 16.3 t -142.24 156.77 45.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.086 -1.009 . . . . 0.0 112.069 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.64 -14.06 55.37 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.484 1.114 . . . . 0.0 112.301 166.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -100.91 169.93 8.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.105 1.362 . . . . 0.0 111.469 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -67.12 -5.96 15.58 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -158.85 137.6 7.93 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 126.334 1.853 . . . . 0.0 108.875 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.45 155.27 67.4 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.332 2.688 . . . . 0.0 111.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -17.7 32.64 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 152.33 22.94 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.624 1.57 . . . . 0.0 113.243 -166.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -79.95 164.24 23.66 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.989 0.916 . . . . 0.0 111.617 173.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.25 139.26 58.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.875 1.27 . . . . 0.0 113.263 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 15.8 m -78.97 -16.86 56.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.377 1.071 . . . . 0.0 113.294 174.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.4 m -108.09 -34.98 6.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.73 1.212 . . . . 0.0 112.772 -167.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -128.34 -13.78 4.89 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.04 -5.31 78.71 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 116.477 1.351 . . . . 0.0 116.477 164.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.71 -170.19 2.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.236 1.518 . . . . 0.0 113.082 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -133.04 95.9 3.65 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.366 1.466 . . . . 0.0 110.27 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -140.94 32.17 1.78 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.191 1.796 . . . . 0.0 112.178 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -59.94 140.3 56.8 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.131 0.973 . . . . 0.0 113.209 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -131.1 136.05 48.05 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.747 1.619 . . . . 0.0 109.02 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -73.84 133.2 43.15 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.925 0.49 . . . . 0.0 110.492 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -121.62 176.32 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.478 1.511 . . . . 0.0 111.991 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.756 0 C-N-CA 125.602 1.572 . . . . 0.0 114.147 -178.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 CA-C-O 119.688 -0.507 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.61 159.54 45.74 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.185 3.256 . . . . 0.0 111.927 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -76.47 168.08 20.71 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.387 1.075 . . . . 0.0 113.081 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.04 -144.63 17.33 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.597 1.094 . . . . 0.0 112.481 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 66.2 mtt -69.68 149.29 48.22 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.787 2.435 . . . . 0.0 113.427 3.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -90.54 -18.07 25.9 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.23 1.012 . . . . 0.0 112.722 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 35.5 p -91.74 161.53 14.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.289 1.436 . . . . 0.0 113.144 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.94 146.95 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.923 1.289 . . . . 0.0 109.15 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 -61.73 12.62 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 128.826 2.85 . . . . 0.0 117.867 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -170.63 2.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.688 1.195 . . . . 0.0 111.016 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -158.3 144.02 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.597 1.159 . . . . 0.0 110.91 165.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.9 m -78.28 143.99 36.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 110.921 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.6 t -156.77 157.53 35.22 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.387 1.475 . . . . 0.0 110.428 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -75.72 135.62 40.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.546 0.688 . . . . 0.0 110.03 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.87 173.85 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 128.524 2.73 . . . . 0.0 109.766 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.2 p -149.74 136.27 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.603 0.761 . . . . 0.0 111.629 -169.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 94.4 m -105.32 118.73 37.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.517 1.127 . . . . 0.0 108.889 169.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.64 119.92 16.49 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -78.65 -17.44 55.98 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.112 0.965 . . . . 0.0 112.47 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 31.0 m -84.71 -38.61 19.51 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.881 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 63.7 m -102.96 -16.53 15.81 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 70.93 25.89 3.73 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.282 2.233 . . . . 0.0 114.236 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -102.19 155.7 18.04 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.516 1.126 . . . . 0.0 112.436 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.3 m -116.37 137.9 51.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.282 1.433 . . . . 0.0 109.452 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.87 179.4 9.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.769 1.628 . . . . 0.0 111.513 -176.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.33 -28.42 63.05 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.494 1.118 . . . . 0.0 113.211 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -152.27 160.13 31.79 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.624 1.969 . . . . 0.0 111.02 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.89 147.74 50.37 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.157 1.905 . . . . 0.0 109.249 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.11 156.01 37.25 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.368 1.08 . . . . 0.0 111.886 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.8 -35.34 70.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.36 -0.837 . . . . 0.0 111.823 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -66.63 -41.48 88.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.915 1.286 . . . . 0.0 112.256 171.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.65 -34.64 78.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.038 0.935 . . . . 0.0 112.366 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.5 t -71.76 -42.3 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 0.0 111.074 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 75.7 m -72.02 -42.41 66.39 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.263 1.025 . . . . 0.0 113.39 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -78.31 -12.56 60.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.252 1.021 . . . . 0.0 112.289 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.06 45.17 0.72 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.352 1.861 . . . . 0.0 113.287 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -60.4 155.77 17.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.327 1.451 . . . . 0.0 111.319 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -81.75 139.7 34.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.69 -0.631 . . . . 0.0 110.139 171.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.95 148.41 40.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.38 0.672 . . . . 0.0 112.812 175.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -109.56 123.39 49.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.705 1.202 . . . . 0.0 110.247 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -92.16 149.56 21.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.565 1.146 . . . . 0.0 112.582 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -167.29 173.38 8.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.544 1.938 . . . . 0.0 110.63 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -89.01 148.9 23.51 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.729 -1.232 . . . . 0.0 112.237 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.94 -176.87 25.94 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.087 1.803 . . . . 0.0 113.023 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.05 139.14 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.114 1.366 . . . . 0.0 110.004 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -115.3 151.36 34.7 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.929 1.292 . . . . 0.0 114.235 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -122.94 131.13 53.59 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.433 2.293 . . . . 0.0 109.489 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.06 138.14 40.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.696 1.199 . . . . 0.0 112.336 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -133.8 156.41 48.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.185 0.994 . . . . 0.0 113.585 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -138.64 142.68 39.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.147 1.779 . . . . 0.0 111.53 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.5 t -98.57 147.74 33.58 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.462 1.905 . . . . 0.0 110.703 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.76 -21.16 46.63 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 123.732 2.955 . . . . 0.0 116.041 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.0 p -76.92 -12.41 59.95 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 120.357 1.435 . . . . 0.0 113.972 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.87 -9.37 37.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.61 2.052 . . . . 0.0 114.627 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -62.76 152.15 36.61 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.602 1.701 . . . . 0.0 112.035 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -128.53 155.2 45.25 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.814 1.646 . . . . 0.0 112.184 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.6 t -160.0 173.19 16.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.277 1.431 . . . . 0.0 111.436 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 10.5 mt -140.66 144.84 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 127.196 2.199 . . . . 0.0 107.789 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.2 t -140.64 166.16 25.49 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.111 -0.993 . . . . 0.0 111.502 171.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 99.0 mt -88.08 -17.42 31.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.089 0.955 . . . . 0.0 111.944 166.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -92.4 165.63 12.96 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.231 1.412 . . . . 0.0 112.088 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -10.41 20.27 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.887 1.675 . . . . 0.0 115.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -165.03 136.83 3.37 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 126.325 1.85 . . . . 0.0 109.474 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.79 155.3 53.86 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.663 2.242 . . . . 0.0 110.675 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.25 -25.28 22.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -75.0 148.06 40.23 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 112.978 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -72.34 162.86 28.9 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.539 -0.726 . . . . 0.0 111.477 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.0 134.86 54.81 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 112.82 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.6 m -72.4 -16.58 61.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.312 1.045 . . . . 0.0 113.764 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 94.0 m -105.96 -40.23 5.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.877 1.271 . . . . 0.0 112.525 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.7 p -124.18 -12.58 7.38 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.75 -6.09 82.07 Favored Glycine 0 N--CA 1.474 1.219 0 N-CA-C 116.371 1.308 . . . . 0.0 116.371 164.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.29 -172.19 3.53 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.71 1.255 . . . . 0.0 113.045 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -126.38 100.49 6.29 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.353 1.461 . . . . 0.0 110.492 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -145.55 31.26 1.08 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.842 1.657 . . . . 0.0 112.963 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.58 131.31 50.55 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.696 -1.253 . . . . 0.0 112.368 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -116.52 136.73 52.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.582 1.953 . . . . 0.0 109.476 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.92 127.59 33.13 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.787 0.835 . . . . 0.0 110.379 176.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.0 166.72 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 125.725 1.61 . . . . 0.0 111.768 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -86.74 -160.99 35.49 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.784 1.183 . . . . 0.0 115.355 -173.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 16.8 ttt -69.31 150.14 47.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.56 1.544 . . . . 0.0 112.494 -172.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.22 5.13 20.88 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.321 1.448 . . . . 0.0 113.528 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? 69.56 4.91 4.91 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.73 2.412 . . . . 0.0 114.77 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -167.97 144.6 4.08 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.747 2.419 . . . . 0.0 109.846 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -79.15 -31.34 44.0 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 12.6 t -177.75 162.08 1.7 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.228 2.611 . . . . 0.0 110.532 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -92.2 -155.58 31.99 Favored Glycine 0 CA--C 1.544 1.876 0 C-N-CA 126.033 1.778 . . . . 0.0 112.704 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.12 166.16 30.48 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.436 2.757 . . . . 0.0 111.146 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -61.59 131.83 51.35 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.282 0.633 . . . . 0.0 111.943 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 48.7 tp -162.22 149.02 13.52 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.749 1.62 . . . . 0.0 110.842 -170.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 83.52 -168.48 46.05 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.646 1.117 . . . . 0.0 113.675 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 C-N-CA 125.243 1.402 . . . . 0.0 112.885 -178.863 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.384 0 CA-C-O 120.051 -0.305 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.65 -41.61 0.32 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.524 2.816 . . . . 0.0 112.452 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 23.8 ptp 175.18 170.98 0.29 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 128.772 2.829 . . . . 0.0 109.964 -173.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -65.52 149.9 51.68 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 121.573 -0.704 . . . . 0.0 111.953 173.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -7.06 59.08 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.203 2.601 . . . . 0.0 115.459 3.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -70.66 -42.16 71.15 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.964 0.802 . . . . 0.0 111.895 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 66.6 m -77.51 134.02 38.41 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.465 -0.772 . . . . 0.0 111.405 167.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 33.7 mm -109.87 155.9 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.491 1.516 . . . . 0.0 109.385 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -26.57 54.3 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.35 161.15 28.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 113.197 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.37 141.11 20.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.662 0.744 . . . . 0.0 112.196 -171.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 23.6 p -76.77 143.91 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.933 1.293 . . . . 0.0 113.814 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 4.3 m -152.51 164.76 36.95 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.492 1.917 . . . . 0.0 111.176 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -76.63 142.07 40.8 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.768 -0.582 . . . . 0.0 109.836 166.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.57 158.23 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.729 2.011 . . . . 0.0 110.873 -174.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 146.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.259 1.423 . . . . 0.0 110.908 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 60.8 m -118.05 117.72 29.98 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.777 1.231 . . . . 0.0 108.847 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.7 t -74.08 118.11 16.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 167.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -77.48 -23.3 50.39 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.433 1.093 . . . . 0.0 111.762 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 33.2 m -75.84 -47.72 24.45 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.992 1.317 . . . . 0.0 110.893 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 83.9 m -93.72 -17.54 23.08 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.8 23.44 3.63 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.389 2.276 . . . . 0.0 114.713 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -97.87 157.3 16.16 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.167 -0.958 . . . . 0.0 113.151 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 23.5 m -115.86 139.01 50.62 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.208 1.803 . . . . 0.0 109.068 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.08 173.43 16.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.547 1.139 . . . . 0.0 112.625 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -67.71 -28.91 68.07 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.156 0.982 . . . . 0.0 112.969 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -164.99 154.52 11.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.656 1.982 . . . . 0.0 112.07 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.16 154.23 25.12 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.11 2.54 . . . . 0.0 111.037 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -72.89 154.7 40.47 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.129 0.966 . . . . 0.0 112.923 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -59.57 -36.41 76.16 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.142 0.977 . . . . 0.0 111.189 171.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.8 p -68.68 -37.69 79.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.519 1.128 . . . . 0.0 112.679 173.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 63.1 m -66.52 -41.94 88.05 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.919 0.781 . . . . 0.0 111.559 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.66 -43.94 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.056 0.943 . . . . 0.0 111.473 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 21.9 t -70.7 -37.77 73.62 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.28 -1.71 46.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.576 1.15 . . . . 0.0 113.175 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 66.05 37.64 5.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.416 1.886 . . . . 0.0 113.129 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.07 150.62 33.28 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.409 1.084 . . . . 0.0 110.721 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -85.27 137.3 33.07 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.507 0.723 . . . . 0.0 110.424 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 159.91 42.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.119 0.962 . . . . 0.0 113.207 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -131.02 133.63 45.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.472 1.109 . . . . 0.0 111.05 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -93.61 154.35 17.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.415 1.086 . . . . 0.0 112.057 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -164.15 178.96 7.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.937 2.095 . . . . 0.0 110.353 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -92.9 146.35 23.7 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.058 -1.026 . . . . 0.0 111.88 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -150.59 -159.91 9.05 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.705 2.098 . . . . 0.0 112.168 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -151.46 133.27 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.634 1.173 . . . . 0.0 111.056 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -108.18 148.51 29.81 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -138.89 140.51 38.42 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.379 1.871 . . . . 0.0 108.904 -167.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -104.98 136.83 43.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 111.999 -167.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -134.58 155.04 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.888 0.875 . . . . 0.0 113.268 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -136.2 142.86 44.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.94 1.696 . . . . 0.0 111.592 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 39.0 t -101.08 146.66 32.54 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 126.521 1.929 . . . . 0.0 110.199 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -17.28 52.91 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.702 2.934 . . . . 0.0 115.867 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.7 p -75.48 -13.23 60.36 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 120.086 1.312 . . . . 0.0 113.976 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.61 36.91 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 126.676 2.084 . . . . 0.0 114.574 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -65.36 151.13 47.02 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.804 1.302 . . . . 0.0 111.887 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -128.35 156.16 43.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.991 1.716 . . . . 0.0 111.551 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 t -160.03 171.62 19.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.056 1.342 . . . . 0.0 111.34 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -139.79 141.52 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.895 2.078 . . . . 0.0 107.872 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 13.5 t -152.2 165.65 34.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.908 0.861 . . . . 0.0 112.43 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.76 -25.02 21.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.58 1.952 . . . . 0.0 111.585 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.49 160.57 23.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.195 1.398 . . . . 0.0 111.923 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -60.09 -18.75 49.27 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.104 1.362 . . . . 0.0 114.196 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 18.4 tp -154.85 137.52 10.18 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 127.853 2.461 . . . . 0.0 108.106 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.13 151.86 61.63 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.555 2.17 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.64 -25.88 24.65 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.89 152.54 24.48 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 113.779 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -78.99 163.52 25.14 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.647 0.779 . . . . 0.0 111.238 170.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.23 143.24 57.97 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.712 1.205 . . . . 0.0 113.048 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.8 m -87.07 -13.66 43.65 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.046 0.939 . . . . 0.0 113.051 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.1 m -100.48 -39.45 7.94 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.936 1.294 . . . . 0.0 111.956 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.2 p -125.83 -15.28 5.98 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.6 -7.17 74.58 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 125.134 1.349 . . . . 0.0 116.092 166.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.53 -170.8 2.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.11 1.455 . . . . 0.0 113.336 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -132.48 91.58 2.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.608 1.563 . . . . 0.0 110.642 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.33 30.18 1.97 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.134 1.374 . . . . 0.0 112.734 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -56.56 135.82 54.56 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.498 1.119 . . . . 0.0 112.062 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.04 132.54 54.16 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.506 1.922 . . . . 0.0 108.96 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.63 125.9 29.67 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 22.2 m -116.4 168.98 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.245 1.418 . . . . 0.0 111.72 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -71.09 171.0 46.52 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.37 0.986 . . . . 0.0 113.188 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 48.1 ttp -67.12 147.76 52.72 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.24 1.016 . . . . 0.0 111.426 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.33 138.29 58.35 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.112 0.965 . . . . 0.0 111.361 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -111.66 5.99 19.63 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.116 1.366 . . . . 0.0 114.448 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -147.64 151.8 36.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.191 2.196 . . . . 0.0 109.727 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -58.23 140.83 52.38 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 40.9 p -102.01 164.36 11.75 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.095 1.758 . . . . 0.0 112.174 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 158.08 164.1 13.6 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.535 1.54 . . . . 0.0 113.743 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.76 142.19 25.35 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.882 3.054 . . . . 0.0 111.223 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -70.55 -19.14 62.91 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.665 0.786 . . . . 0.0 113.006 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 49.8 tp -74.53 -26.25 59.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.034 1.734 . . . . 0.0 112.137 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 77.03 -149.52 36.15 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.649 1.119 . . . . 0.0 112.248 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.441 0 CA-C-O 118.123 -1.376 . . . . 0.0 113.131 178.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -55.27 146.09 62.84 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 124.268 3.312 . . . . 0.0 113.313 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 48.7 mtt 71.12 3.71 4.77 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 126.539 1.935 . . . . 0.0 114.093 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 65.9 -119.36 13.31 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.417 1.008 . . . . 0.0 111.736 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 97.0 mmm -69.81 -21.26 63.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.997 0.919 . . . . 0.0 113.213 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 73.04 -37.56 0.39 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 128.845 2.858 . . . . 0.0 113.413 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 68.2 p -151.66 148.47 27.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.975 1.31 . . . . 0.0 112.746 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 11.4 mm -124.53 166.6 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 126.464 1.906 . . . . 0.0 109.378 -173.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -72.1 38.92 0.07 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.298 1.439 . . . . 0.0 114.761 171.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -175.28 154.5 1.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 130.432 3.493 . . . . 0.0 109.676 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.66 139.44 22.87 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.447 0.699 . . . . 0.0 112.5 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.5 m -72.76 141.33 48.11 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.844 0.858 . . . . 0.0 112.383 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.1 m -145.17 170.57 15.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.205 1.802 . . . . 0.0 111.218 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -88.24 142.78 27.48 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 160.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.1 m -139.87 167.56 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 127.007 2.123 . . . . 0.0 110.96 -170.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.6 p -137.0 141.88 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.904 1.281 . . . . 0.0 111.134 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -110.64 117.17 32.77 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.996 1.318 . . . . 0.0 108.47 167.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.1 t -71.89 120.8 18.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 166.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.99 -20.63 45.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.895 0.878 . . . . 0.0 112.522 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 30.4 m -76.55 -43.56 38.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.181 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -100.91 -17.48 16.8 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 74.69 18.87 2.67 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.046 2.538 . . . . 0.0 113.979 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -95.33 157.58 15.83 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.791 -1.193 . . . . 0.0 113.188 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 18.8 m -117.38 134.53 54.72 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.78 1.632 . . . . 0.0 109.929 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -157.57 175.23 14.21 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.643 1.577 . . . . 0.0 111.506 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -38.57 71.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.062 -1.024 . . . . 0.0 112.049 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.4 151.35 78.62 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 126.315 1.846 . . . . 0.0 111.49 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.61 149.46 26.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.126 2.55 . . . . 0.0 109.872 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -67.71 158.95 31.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 122.432 1.11 . . . . 0.0 113.327 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -36.51 78.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.54 1.136 . . . . 0.0 111.913 175.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 20.1 p -65.3 -43.04 92.34 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.957 1.303 . . . . 0.0 111.483 172.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -67.96 -40.21 83.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.343 1.057 . . . . 0.0 112.076 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.19 -41.05 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 111.221 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.8 t -70.95 -43.23 68.57 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -78.02 -7.83 57.39 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.628 1.171 . . . . 0.0 112.771 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 58.5 51.99 7.5 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.036 1.734 . . . . 0.0 112.573 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -60.41 155.5 18.01 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.299 1.04 . . . . 0.0 111.068 168.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -83.36 133.93 34.92 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.222 0.609 . . . . 0.0 110.004 172.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.61 44.67 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.799 0.84 . . . . 0.0 112.042 176.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -110.66 129.03 55.92 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.611 1.164 . . . . 0.0 110.216 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -95.11 151.86 18.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.597 1.159 . . . . 0.0 112.211 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -166.52 179.97 5.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.453 1.901 . . . . 0.0 110.948 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -95.99 155.77 16.61 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.989 -1.069 . . . . 0.0 113.05 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.98 -165.36 17.59 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.991 1.758 . . . . 0.0 112.895 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -150.17 133.74 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.323 1.449 . . . . 0.0 111.017 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -100.01 140.99 33.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.235 . . . . 0.0 113.739 -170.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -114.71 146.26 41.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.757 2.823 . . . . 0.0 109.486 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -111.21 130.66 55.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 112.271 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -129.88 149.13 51.75 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.551 1.141 . . . . 0.0 113.795 -174.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -131.6 146.2 52.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.529 1.532 . . . . 0.0 112.024 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 45.2 t -98.28 149.9 36.19 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 127.365 2.266 . . . . 0.0 110.667 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.83 -23.44 50.59 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.181 2.587 . . . . 0.0 115.811 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.6 p -76.53 -13.96 60.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.99 -10.94 31.92 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.895 1.712 . . . . 0.0 114.712 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -68.94 148.25 50.45 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.689 1.245 . . . . 0.0 111.651 174.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -135.58 157.04 47.86 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.981 1.312 . . . . 0.0 112.584 -172.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -155.11 170.65 21.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.014 1.325 . . . . 0.0 111.992 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.9 mt -139.72 140.27 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.294 1.838 . . . . 0.0 108.351 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.0 t -156.82 176.78 12.29 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.263 1.425 . . . . 0.0 110.592 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.23 -25.1 14.99 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.611 1.165 . . . . 0.0 111.988 -172.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.41 166.58 12.8 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.07 1.0 3.89 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -178.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 13.2 tp -158.39 137.82 8.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.179 1.791 . . . . 0.0 109.137 166.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -71.47 162.11 43.35 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.383 2.722 . . . . 0.0 111.505 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -12.14 35.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -173.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.38 152.28 25.54 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.389 1.476 . . . . 0.0 113.864 -169.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.03 163.56 26.56 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 111.965 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 45.5 t -60.87 135.96 57.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.919 1.287 . . . . 0.0 112.88 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.9 m -77.09 -17.4 58.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.322 1.049 . . . . 0.0 113.166 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 90.3 m -103.6 -33.63 8.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.536 1.134 . . . . 0.0 112.449 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.81 -13.13 3.29 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.78 -7.62 73.91 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 116.485 1.354 . . . . 0.0 116.485 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -173.36 4.1 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.004 1.402 . . . . 0.0 113.241 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.78 85.34 2.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.833 1.653 . . . . 0.0 110.241 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.89 33.77 3.16 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.557 1.543 . . . . 0.0 112.512 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -59.12 138.71 57.45 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.965 1.306 . . . . 0.0 113.101 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -127.82 136.94 52.13 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.98 1.712 . . . . 0.0 110.32 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -65.49 121.85 15.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.984 0.913 . . . . 0.0 110.318 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.9 171.41 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.868 1.667 . . . . 0.0 111.104 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -77.2 -174.99 41.79 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 123.558 0.599 . . . . 0.0 113.929 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 28.0 ttt -57.6 142.13 45.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.386 1.074 . . . . 0.0 111.759 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.0 120.46 17.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.997 0.919 . . . . 0.0 110.111 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 6.38 48.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.308 1.443 . . . . 0.0 114.337 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -67.05 139.81 57.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.206 1.402 . . . . 0.0 111.811 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.23 165.93 24.32 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.187 1.395 . . . . 0.0 113.95 -175.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 28.5 m 89.39 137.56 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 129.578 3.151 . . . . 0.0 110.774 171.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -175.89 175.8 47.42 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.248 1.404 . . . . 0.0 113.331 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.46 140.69 37.01 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 123.796 2.998 . . . . 0.0 111.485 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -88.17 -10.89 48.47 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 96.3 mt -126.58 165.44 19.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.769 2.028 . . . . 0.0 111.672 -175.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -85.34 -154.78 23.39 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.155 1.36 . . . . 0.0 113.175 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.26 0 CA-C-O 117.636 -1.647 . . . . 0.0 113.847 -179.012 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 CA-C-O 119.447 -0.64 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.31 -17.15 21.69 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.943 3.095 . . . . 0.0 113.862 -175.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 26.1 mmt -81.03 -0.73 40.99 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.75 161.07 54.3 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.709 1.147 . . . . 0.0 113.671 178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.41 139.23 57.98 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.566 0.746 . . . . 0.0 111.876 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -116.22 13.79 15.74 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.538 1.535 . . . . 0.0 112.03 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 8.5 t -158.06 179.02 9.57 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.487 1.515 . . . . 0.0 111.482 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 3.1 mp -79.03 143.88 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.318 1.447 . . . . 0.0 110.457 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -76.56 46.91 0.46 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 126.396 1.878 . . . . 0.0 115.217 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.39 157.83 28.49 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.848 2.459 . . . . 0.0 111.048 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.73 140.1 23.33 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.533 0.733 . . . . 0.0 112.631 -168.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 20.9 m -74.29 149.69 40.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.124 0.97 . . . . 0.0 113.132 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.4 t -159.58 165.47 32.77 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.194 1.398 . . . . 0.0 111.512 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -77.01 141.91 40.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.501 -0.749 . . . . 0.0 110.362 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.98 162.69 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.446 1.898 . . . . 0.0 110.582 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.0 p -125.37 139.38 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 125.534 1.534 . . . . 0.0 110.187 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.9 m -107.17 115.43 30.17 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.118 0.967 . . . . 0.0 108.729 163.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.46 118.31 17.27 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -79.31 -23.14 43.72 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 112.171 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.6 m -75.18 -42.14 56.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.767 1.227 . . . . 0.0 111.579 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.22 -16.88 19.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.917 1.287 . . . . 0.0 113.971 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.9 mptt 67.06 57.53 0.61 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.248 2.219 . . . . 0.0 112.966 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.34 158.38 43.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.549 1.139 . . . . 0.0 112.84 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.0 m -113.5 131.81 55.92 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.81 1.644 . . . . 0.0 110.303 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -154.91 177.56 11.16 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.908 1.683 . . . . 0.0 112.246 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.98 -34.53 77.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.84 1.256 . . . . 0.0 113.255 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -159.69 155.54 22.98 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.137 1.775 . . . . 0.0 112.399 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.49 157.34 32.59 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.591 2.194 . . . . 0.0 110.657 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -73.28 158.94 34.18 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.819 0.819 . . . . 0.0 112.074 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.87 -35.55 76.88 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.677 -0.639 . . . . 0.0 111.62 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 16.7 p -65.43 -41.89 93.05 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.684 1.193 . . . . 0.0 112.122 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.6 -41.53 96.16 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 112.128 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.02 -42.3 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.325 0.65 . . . . 0.0 111.601 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 26.0 t -71.01 -43.79 67.21 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -77.97 -9.9 59.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.21 1.004 . . . . 0.0 112.818 172.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 69.19 48.5 0.66 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.37 1.868 . . . . 0.0 112.689 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.25 155.48 11.43 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.051 1.34 . . . . 0.0 110.966 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.21 137.85 33.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.684 0.794 . . . . 0.0 110.072 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.86 152.64 40.59 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -113.08 126.05 55.04 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 109.287 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -91.46 145.96 24.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.328 1.051 . . . . 0.0 111.414 171.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -165.15 -179.73 5.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 111.47 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -96.04 151.59 19.31 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.16 -0.962 . . . . 0.0 111.863 173.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.58 -163.45 11.82 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 126.612 2.053 . . . . 0.0 112.051 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.78 131.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.235 1.414 . . . . 0.0 110.59 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -100.75 146.72 26.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 42.1 mtt85 -138.45 136.56 36.33 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 127.397 2.279 . . . . 0.0 109.282 -163.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.04 131.55 53.96 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.162 0.985 . . . . 0.0 111.564 -164.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -128.9 155.45 45.26 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 113.08 -174.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -134.98 142.25 46.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.81 2.044 . . . . 0.0 111.602 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.45 148.19 34.22 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.402 1.881 . . . . 0.0 110.362 171.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -58.2 -18.42 37.04 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.308 2.672 . . . . 0.0 116.237 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.3 p -77.67 -10.63 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 120.193 1.36 . . . . 0.0 114.261 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.09 -4.57 45.19 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 126.722 2.106 . . . . 0.0 114.79 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -68.61 155.64 39.63 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.797 1.299 . . . . 0.0 111.853 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -128.81 155.68 44.79 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.855 1.662 . . . . 0.0 112.465 -171.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -158.96 172.23 18.59 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.834 1.653 . . . . 0.0 111.416 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.2 mt -138.21 141.28 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.046 1.738 . . . . 0.0 108.447 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 33.3 t -145.62 164.66 31.02 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.161 0.984 . . . . 0.0 111.559 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.72 -10.06 32.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.182 1.793 . . . . 0.0 111.498 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -109.1 174.15 6.0 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.816 2.046 . . . . 0.0 111.271 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -62.71 -10.95 14.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.664 1.586 . . . . 0.0 114.972 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.2 tp -158.29 142.5 11.47 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.242 1.817 . . . . 0.0 109.708 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.6 156.75 57.26 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.428 2.752 . . . . 0.0 111.256 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -16.14 30.44 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -174.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 151.53 22.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 113.892 -162.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -76.99 155.14 32.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.855 0.862 . . . . 0.0 111.27 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.22 141.37 58.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.863 1.265 . . . . 0.0 112.809 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 7.9 t -82.77 -20.42 35.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.229 1.012 . . . . 0.0 112.895 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -97.21 -37.77 9.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.061 1.344 . . . . 0.0 112.428 -171.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.1 p -129.83 -13.0 4.21 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.851 1.796 . . . . 0.0 115.851 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.12 -11.55 69.18 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.759 1.171 . . . . 0.0 116.007 164.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.35 -168.2 2.13 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.083 1.441 . . . . 0.0 113.622 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -136.8 95.2 3.09 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.94 1.696 . . . . 0.0 110.49 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -143.13 31.57 1.38 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.641 1.576 . . . . 0.0 112.367 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -60.14 142.72 53.83 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.419 1.088 . . . . 0.0 113.325 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -130.15 135.93 48.72 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 126.759 2.024 . . . . 0.0 110.077 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.07 130.35 43.05 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.568 0.747 . . . . 0.0 110.366 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.77 175.05 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.442 1.497 . . . . 0.0 110.459 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -81.69 178.24 53.78 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-O 122.603 1.113 . . . . 0.0 114.839 -173.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -76.87 147.63 36.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.415 1.486 . . . . 0.0 110.704 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.86 104.54 4.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.65 1.18 . . . . 0.0 111.236 -168.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -82.76 -1.94 52.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.931 1.293 . . . . 0.0 114.294 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -148.31 73.16 1.23 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.047 2.139 . . . . 0.0 109.169 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -70.63 146.02 50.29 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.521 1.128 . . . . 0.0 113.26 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 36.1 p -83.33 157.05 22.72 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.633 1.573 . . . . 0.0 111.492 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -110.34 159.41 13.9 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.009 1.29 . . . . 0.0 113.146 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.53 159.4 42.94 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.901 3.068 . . . . 0.0 111.204 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -80.29 -12.37 59.62 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 48.1 tp -158.17 149.15 20.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.322 1.849 . . . . 0.0 110.273 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -82.85 -167.74 41.54 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.208 1.385 . . . . 0.0 113.816 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.2 0 C-N-CA 125.425 1.488 . . . . 0.0 113.036 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 CA-C-O 119.055 -0.858 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.9 148.83 46.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.834 3.023 . . . . 0.0 111.919 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.33 -11.99 16.85 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.763 1.225 . . . . 0.0 113.382 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -66.69 -16.02 65.12 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.682 1.134 . . . . 0.0 114.853 -172.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -72.11 -10.49 59.86 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.707 1.603 . . . . 0.0 113.526 171.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 84.89 -25.42 0.12 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 129.946 3.299 . . . . 0.0 113.073 173.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 38.3 m -73.32 145.37 46.06 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.467 1.107 . . . . 0.0 112.691 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.43 142.99 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.589 1.556 . . . . 0.0 108.807 174.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -77.27 29.21 0.14 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -158.96 153.5 24.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.058 2.543 . . . . 0.0 110.29 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.51 146.89 31.62 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.523 0.729 . . . . 0.0 111.748 -164.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.2 m -74.39 149.83 40.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.069 0.947 . . . . 0.0 113.095 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.05 170.91 21.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.849 1.26 . . . . 0.0 112.481 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -84.78 141.32 30.59 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 0.0 109.387 164.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.58 167.8 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.39 1.876 . . . . 0.0 110.984 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.8 p -144.52 129.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.609 1.164 . . . . 0.0 111.542 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 55.1 m -96.98 116.23 28.82 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.649 1.179 . . . . 0.0 108.748 168.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.7 117.04 16.09 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.17 -23.6 60.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.923 1.289 . . . . 0.0 111.932 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.8 m -79.05 -42.12 27.18 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.053 1.341 . . . . 0.0 111.781 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.5 -16.67 16.73 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.703 1.201 . . . . 0.0 113.833 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 68.6 49.38 0.74 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.856 2.062 . . . . 0.0 113.033 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -135.32 162.23 33.18 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.459 1.503 . . . . 0.0 112.302 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.4 m -116.41 124.43 50.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.642 1.177 . . . . 0.0 110.727 173.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -126.68 177.52 6.49 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.766 2.027 . . . . 0.0 110.602 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.23 -37.6 72.01 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.396 1.078 . . . . 0.0 111.53 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -142.73 154.11 62.25 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.008 2.123 . . . . 0.0 111.215 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.24 152.38 35.06 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.679 2.252 . . . . 0.0 109.779 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -76.93 159.99 29.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.482 1.134 . . . . 0.0 111.968 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.45 -37.95 79.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.813 0.845 . . . . 0.0 111.563 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.5 p -67.4 -40.94 85.63 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.855 1.262 . . . . 0.0 111.63 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.44 -42.69 95.84 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.233 0.924 . . . . 0.0 111.581 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.11 -43.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.77 0.828 . . . . 0.0 111.113 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.3 t -67.67 -39.54 84.48 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -80.42 -5.75 56.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.062 1.345 . . . . 0.0 112.961 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 65.31 42.41 3.93 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.244 1.818 . . . . 0.0 112.648 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -60.13 150.65 29.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.218 1.007 . . . . 0.0 110.381 171.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -87.05 142.31 28.02 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 110.74 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.46 152.78 44.53 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.309 0.644 . . . . 0.0 112.596 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -110.77 124.82 52.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 109.202 166.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -90.67 148.25 22.74 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.207 1.003 . . . . 0.0 111.873 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -166.46 -170.97 1.78 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.973 2.109 . . . . 0.0 110.622 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -109.72 154.04 23.46 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.696 -1.253 . . . . 0.0 112.887 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.05 -169.51 21.73 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.957 1.741 . . . . 0.0 113.294 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 68.8 t -132.62 132.01 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.219 1.408 . . . . 0.0 110.134 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -102.48 150.69 23.13 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.746 1.218 . . . . 0.0 113.903 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -142.59 139.26 31.27 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.865 2.066 . . . . 0.0 110.382 -160.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -112.32 132.32 55.04 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.329 1.052 . . . . 0.0 112.102 -162.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -132.0 152.96 50.83 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.139 0.975 . . . . 0.0 113.489 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.59 145.46 44.95 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.085 1.754 . . . . 0.0 112.233 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 47.3 t -104.58 148.92 36.82 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 127.299 2.24 . . . . 0.0 110.192 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.11 -19.58 49.83 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.671 2.914 . . . . 0.0 116.115 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.02 -12.44 60.33 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 120.178 1.354 . . . . 0.0 113.95 172.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.24 -7.38 47.5 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.471 1.986 . . . . 0.0 114.602 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -70.77 149.89 46.42 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.184 1.492 . . . . 0.0 112.186 174.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -134.44 160.94 36.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.919 1.287 . . . . 0.0 112.648 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -155.97 174.31 15.52 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.532 1.533 . . . . 0.0 111.597 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.1 mt -134.36 142.54 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.398 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.4 t -140.14 166.88 23.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.629 1.172 . . . . 0.0 111.387 173.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.5 mt -88.07 -18.3 29.22 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.186 0.994 . . . . 0.0 111.865 167.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.05 166.13 14.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.227 1.411 . . . . 0.0 112.455 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -65.52 -10.69 36.94 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.6 tp -164.73 137.94 3.88 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 127.694 2.398 . . . . 0.0 108.824 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.22 156.44 51.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 123.063 2.509 . . . . 0.0 110.547 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -87.68 -27.0 22.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -80.72 153.15 28.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.822 1.249 . . . . 0.0 113.057 -165.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -74.94 162.38 28.66 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.482 -0.761 . . . . 0.0 111.929 167.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.97 135.49 55.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.019 1.328 . . . . 0.0 112.727 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 29.3 m -74.89 -13.83 60.59 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.338 1.055 . . . . 0.0 113.378 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -103.49 -42.2 5.76 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.381 1.072 . . . . 0.0 112.251 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.8 p -123.29 -14.39 7.46 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.78 -5.62 79.56 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.439 1.335 . . . . 0.0 116.439 166.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -173.33 3.75 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.28 1.54 . . . . 0.0 112.653 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -125.42 103.03 7.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.962 1.305 . . . . 0.0 110.137 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -146.46 31.22 0.99 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.147 1.779 . . . . 0.0 112.603 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -60.51 139.46 57.74 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.314 -0.866 . . . . 0.0 112.661 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -130.53 135.86 48.35 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.25 1.82 . . . . 0.0 109.922 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.03 128.36 35.43 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.033 0.533 . . . . 0.0 110.409 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -122.04 172.09 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.306 1.442 . . . . 0.0 110.837 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -80.76 -177.82 51.74 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.686 1.136 . . . . 0.0 114.156 -176.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.51 144.36 54.64 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.847 1.259 . . . . 0.0 112.333 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.29 150.89 24.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.516 1.126 . . . . 0.0 111.666 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -115.83 145.34 42.93 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.945 1.298 . . . . 0.0 110.473 167.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -158.1 157.77 33.44 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.6 1.56 . . . . 0.0 111.435 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.34 167.23 22.05 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.243 1.817 . . . . 0.0 112.472 -176.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 24.8 p -126.74 151.11 48.63 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.087 1.755 . . . . 0.0 111.312 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -94.29 -115.11 2.63 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.625 1.584 . . . . 0.0 111.608 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.21 149.03 69.9 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.284 2.656 . . . . 0.0 111.334 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -65.15 -24.61 67.45 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 33.7 tp -97.46 -19.04 18.68 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.995 1.718 . . . . 0.0 112.887 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 80.23 -141.09 22.8 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.173 0.892 . . . . 0.0 111.584 -169.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.425 0 CA-C-O 118.387 -1.229 . . . . 0.0 113.476 177.308 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 CA-C-O 119.262 -0.743 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.87 158.17 21.73 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.834 3.689 . . . . 0.0 113.938 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -65.06 -19.37 65.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.697 1.199 . . . . 0.0 113.372 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.97 -11.31 69.76 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.839 1.209 . . . . 0.0 114.572 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -81.14 -3.75 53.11 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.189 1.395 . . . . 0.0 113.32 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -133.48 175.68 9.2 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.524 1.53 . . . . 0.0 110.982 175.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 9.6 t -154.58 156.24 36.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.535 1.134 . . . . 0.0 111.957 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -143.51 147.64 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 126.567 1.947 . . . . 0.0 108.818 -176.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . 0.459 ' H ' ' HD3' ' A' ' 759' ' ' ARG . 0.0 OUTLIER -56.03 -44.57 78.86 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.486 0.714 . . . . 0.0 112.525 173.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -74.55 140.33 44.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.103 1.361 . . . . 0.0 110.84 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.77 131.32 8.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.76 0.824 . . . . 0.0 109.634 -162.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.7 p -78.2 142.53 37.87 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.834 0.826 . . . . 0.0 112.283 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.8 t -158.5 157.17 31.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.004 1.322 . . . . 0.0 110.438 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -72.96 130.09 39.58 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.902 -0.499 . . . . 0.0 110.093 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.87 158.79 19.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 127.722 2.409 . . . . 0.0 110.296 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.1 p -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.785 1.634 . . . . 0.0 110.845 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 91.4 m -126.46 111.46 14.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 109.36 168.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 30.2 t -75.29 118.06 17.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.762 0.825 . . . . 0.0 109.855 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -83.8 -14.97 50.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.358 1.463 . . . . 0.0 112.501 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.3 m -81.42 -43.45 18.91 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.818 1.247 . . . . 0.0 111.242 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -97.55 -24.17 15.68 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 72.07 65.79 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.456 2.302 . . . . 0.0 112.317 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -146.72 157.05 43.6 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.243 1.017 . . . . 0.0 113.277 170.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.7 m -113.17 137.47 51.41 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.093 1.757 . . . . 0.0 109.044 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.71 172.16 19.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.383 1.073 . . . . 0.0 111.239 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.96 89.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.746 0.818 . . . . 0.0 111.542 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -150.63 151.49 30.69 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.913 2.085 . . . . 0.0 110.103 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -76.67 161.41 33.86 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.423 2.749 . . . . 0.0 110.97 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -69.64 156.48 38.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.775 0.798 . . . . 0.0 112.076 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.57 -37.08 82.56 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.462 -0.774 . . . . 0.0 111.614 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 15.3 p -61.9 -43.43 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.582 1.153 . . . . 0.0 112.195 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 60.8 m -62.8 -39.68 95.01 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.74 0.816 . . . . 0.0 112.224 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 92.3 t -69.66 -45.73 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.827 0.851 . . . . 0.0 111.11 176.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -36.38 75.52 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.43 1.014 . . . . 0.0 113.244 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -79.66 -7.27 58.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.815 0.846 . . . . 0.0 112.611 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 55.99 52.94 9.79 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.174 1.79 . . . . 0.0 112.174 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -60.77 157.3 15.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.237 1.015 . . . . 0.0 111.329 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -81.34 130.91 35.23 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.263 0.625 . . . . 0.0 110.122 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.65 151.02 35.47 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -108.93 142.66 39.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.61 1.164 . . . . 0.0 110.09 168.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -115.63 146.4 41.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.021 1.328 . . . . 0.0 111.66 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -164.07 171.28 15.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.349 1.459 . . . . 0.0 111.232 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -81.52 141.12 34.1 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.217 -0.927 . . . . 0.0 111.616 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -142.21 -169.28 12.07 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 127.005 2.241 . . . . 0.0 111.757 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -148.33 138.91 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.513 1.525 . . . . 0.0 110.5 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -107.14 150.53 26.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.074 1.35 . . . . 0.0 114.568 -166.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -120.22 145.93 46.53 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.213 2.605 . . . . 0.0 110.168 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -119.84 136.39 54.5 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.474 1.109 . . . . 0.0 112.298 -168.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -136.89 157.95 45.58 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.235 1.014 . . . . 0.0 113.213 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -138.89 146.24 40.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.538 . . . . 0.0 111.744 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.37 148.82 35.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.855 2.062 . . . . 0.0 110.697 175.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.12 -21.18 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 124.052 3.168 . . . . 0.0 116.113 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.98 -11.34 59.94 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 120.442 1.474 . . . . 0.0 114.093 172.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.7 -9.43 40.8 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.449 1.975 . . . . 0.0 114.481 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.47 157.05 30.55 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 1.399 . . . . 0.0 112.271 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -125.69 158.66 34.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.892 1.677 . . . . 0.0 112.03 -174.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.2 t -156.61 169.75 23.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.376 1.47 . . . . 0.0 111.136 170.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.2 mt -143.98 143.14 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 126.529 1.931 . . . . 0.0 108.288 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -154.97 169.42 24.11 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.884 0.849 . . . . 0.0 112.523 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -97.69 -10.21 25.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.87 1.668 . . . . 0.0 111.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -97.42 169.66 9.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.019 1.728 . . . . 0.0 111.405 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -12.22 58.01 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 17.3 tp -155.85 138.62 10.53 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 126.895 2.078 . . . . 0.0 108.622 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.66 152.22 64.49 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.097 2.531 . . . . 0.0 111.66 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -22.36 28.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -171.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.24 160.51 17.56 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.84 163.5 26.71 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.693 1.197 . . . . 0.0 112.429 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.63 133.89 56.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.383 1.073 . . . . 0.0 112.135 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.7 p -81.31 -8.84 59.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.92 1.288 . . . . 0.0 113.595 175.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.4 m -105.43 -41.39 5.52 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.935 1.294 . . . . 0.0 112.149 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -126.5 -12.95 6.09 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.66 -8.68 74.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.014 1.292 . . . . 0.0 116.131 164.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.41 -170.23 2.94 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.071 1.436 . . . . 0.0 113.259 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -132.81 101.56 5.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.525 1.53 . . . . 0.0 109.995 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -145.49 30.93 1.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.979 1.711 . . . . 0.0 112.13 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -62.71 137.99 58.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.27 1.028 . . . . 0.0 113.27 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -124.64 139.79 53.54 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.107 1.763 . . . . 0.0 109.312 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -65.32 130.87 44.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.428 1.091 . . . . 0.0 110.31 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -141.98 -173.17 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.147 1.379 . . . . 0.0 111.002 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -77.64 -164.56 23.17 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.567 1.08 . . . . 0.0 114.321 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 5.0 ttp -70.75 -170.34 0.41 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.565 1.146 . . . . 0.0 112.957 -173.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -83.11 140.24 32.75 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.833 -1.167 . . . . 0.0 110.399 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -103.03 124.04 47.77 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.74 1.216 . . . . 0.0 111.153 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -145.15 146.48 31.79 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.612 1.965 . . . . 0.0 110.196 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -67.9 140.86 56.51 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.918 0.887 . . . . 0.0 112.404 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 6.8 t -170.32 175.01 5.02 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.361 2.265 . . . . 0.0 110.417 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -81.49 -167.04 37.88 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.311 1.434 . . . . 0.0 114.098 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.18 -5.12 16.5 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 124.042 3.161 . . . . 0.0 113.96 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 154.16 39.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.239 1.416 . . . . 0.0 112.354 175.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.14 163.82 26.71 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.571 1.149 . . . . 0.0 112.75 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 78.56 -165.18 51.29 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.454 1.026 . . . . 0.0 113.751 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 CA-C-O 118.173 -1.348 . . . . 0.0 112.811 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 CA-C-O 119.204 -0.775 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -74.73 172.77 15.6 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 124.031 3.154 . . . . 0.0 112.105 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.95 -9.1 57.27 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.692 1.197 . . . . 0.0 113.773 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 76.27 -156.01 46.42 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.496 1.522 . . . . 0.0 113.245 173.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 77.0 mtm -87.65 -12.55 45.15 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.077 0.951 . . . . 0.0 113.113 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -80.29 -26.82 38.68 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.325 1.05 . . . . 0.0 112.569 -175.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 8.9 t -155.44 159.27 39.7 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.689 1.196 . . . . 0.0 111.721 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.28 147.91 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 125.485 1.514 . . . . 0.0 109.123 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -64.64 -26.62 68.47 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -171.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.52 160.0 17.68 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.465 1.506 . . . . 0.0 112.329 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -148.69 143.92 26.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.666 0.746 . . . . 0.0 112.834 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.4 m -76.8 153.31 35.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.956 0.902 . . . . 0.0 113.189 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.0 p -160.43 174.7 13.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.464 1.506 . . . . 0.0 112.411 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -88.88 137.51 32.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.65 0.78 . . . . 0.0 109.124 165.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.28 165.53 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.563 1.945 . . . . 0.0 110.112 -172.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.7 135.55 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.066 0.946 . . . . 0.0 111.95 -172.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 50.6 m -104.84 119.93 40.19 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.484 1.113 . . . . 0.0 108.333 167.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.34 116.26 13.68 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 164.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -76.03 -21.96 56.26 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.081 0.952 . . . . 0.0 112.332 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -71.0 -47.93 56.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.989 1.315 . . . . 0.0 110.946 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.39 -20.63 18.95 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? 74.35 17.17 3.24 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 128.511 2.724 . . . . 0.0 115.116 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -94.33 158.15 15.71 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 120.67 -1.269 . . . . 0.0 112.224 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.3 m -125.5 137.73 53.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.032 1.333 . . . . 0.0 110.474 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.56 -172.47 2.92 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.769 1.628 . . . . 0.0 111.504 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.11 -27.11 62.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.887 1.275 . . . . 0.0 113.444 -172.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -159.14 154.59 22.39 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.469 1.908 . . . . 0.0 112.065 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.48 147.61 41.34 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.735 2.29 . . . . 0.0 110.664 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.5 159.65 33.59 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.39 -35.77 74.55 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.473 -0.767 . . . . 0.0 112.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 8.8 p -67.23 -41.56 85.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.272 1.029 . . . . 0.0 112.038 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.4 -38.47 84.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.337 1.055 . . . . 0.0 111.65 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.3 t -70.04 -43.4 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.022 0.929 . . . . 0.0 111.279 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.8 t -68.98 -41.61 77.64 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.144 0.884 . . . . 0.0 113.267 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -80.62 -9.99 59.76 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.888 0.875 . . . . 0.0 113.052 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.92 52.88 5.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.211 1.804 . . . . 0.0 112.417 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -60.34 157.16 14.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.189 0.996 . . . . 0.0 110.51 169.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -89.11 120.44 30.51 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.215 0.606 . . . . 0.0 109.951 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.18 147.09 46.07 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.132 0.973 . . . . 0.0 112.063 177.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -110.13 124.96 52.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.821 1.248 . . . . 0.0 110.213 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -89.35 149.96 22.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.25 1.02 . . . . 0.0 112.268 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -161.97 -177.55 5.87 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.797 2.039 . . . . 0.0 110.826 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -94.72 148.09 22.65 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.802 -1.186 . . . . 0.0 112.867 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -154.85 -170.04 20.12 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 126.181 1.848 . . . . 0.0 112.835 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.0 t -137.32 136.81 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.33 1.452 . . . . 0.0 109.923 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -107.11 145.07 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.18 1.392 . . . . 0.0 113.01 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.32 150.59 49.52 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.867 . . . . 0.0 110.052 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -113.23 141.85 46.49 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.405 1.482 . . . . 0.0 112.09 -168.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.96 149.49 47.59 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.265 1.026 . . . . 0.0 113.271 -170.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -123.46 144.22 49.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.989 2.116 . . . . 0.0 111.937 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 35.1 t -97.58 152.34 38.12 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.634 1.974 . . . . 0.0 111.082 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -56.75 -24.93 57.97 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.083 2.522 . . . . 0.0 115.482 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.78 -11.33 60.13 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.36 -11.68 51.15 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 126.383 1.944 . . . . 0.0 114.579 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -61.89 156.23 21.35 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.507 1.154 . . . . 0.0 112.579 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -131.08 152.73 50.07 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.101 1.36 . . . . 0.0 111.534 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -158.08 177.44 11.31 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.615 1.166 . . . . 0.0 112.336 173.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.5 142.96 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 126.531 1.932 . . . . 0.0 109.325 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.0 t -140.15 161.22 38.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.755 0.822 . . . . 0.0 111.039 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 78.7 mt -85.99 -17.26 35.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.804 0.842 . . . . 0.0 112.195 165.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -95.46 170.84 9.08 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.383 0.992 . . . . 0.0 111.4 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -63.43 -9.85 14.48 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.3 tp -160.08 149.77 14.55 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.555 1.942 . . . . 0.0 109.363 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.28 176.93 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 124.695 3.597 . . . . 0.0 113.562 169.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 8.79 1.0 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.87 1.668 . . . . 0.0 113.192 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -100.08 -18.65 16.88 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -158.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 66.6 m80 71.6 152.47 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.237 2.615 . . . . 0.0 113.241 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.0 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.252 1.421 . . . . 0.0 112.634 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 42.0 p -85.55 -10.5 55.86 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.053 1.341 . . . . 0.0 113.917 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 53.2 m -104.66 -42.17 5.48 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.741 1.216 . . . . 0.0 112.487 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -123.48 -12.26 7.76 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.98 -10.16 75.05 Favored Glycine 0 N--CA 1.479 1.521 0 C-N-CA 125.595 1.569 . . . . 0.0 115.935 164.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 -169.02 2.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.934 1.367 . . . . 0.0 113.049 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -131.08 106.52 8.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.989 1.316 . . . . 0.0 110.464 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -146.8 29.16 1.01 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.145 1.778 . . . . 0.0 112.212 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -60.89 145.66 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.729 -1.232 . . . . 0.0 114.133 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -132.4 140.67 48.56 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.0 2.12 . . . . 0.0 109.007 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -70.74 136.61 49.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.835 -0.54 . . . . 0.0 111.006 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.96 176.56 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.393 1.477 . . . . 0.0 111.847 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -77.76 -172.78 39.36 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.013 1.292 . . . . 0.0 115.816 -174.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 27.0 ttt -66.59 147.85 52.71 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.682 1.593 . . . . 0.0 112.617 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 9.9 mp -70.3 127.02 31.35 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.211 1.004 . . . . 0.0 109.896 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -90.81 -0.14 57.63 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.14 151.17 9.9 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.58 2.352 . . . . 0.0 110.116 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.24 -21.35 65.74 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 26.9 m -71.9 -24.12 61.6 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.276 1.831 . . . . 0.0 112.39 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 76.63 178.89 46.8 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.613 1.578 . . . . 0.0 112.657 -170.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.58 151.56 53.7 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.797 2.998 . . . . 0.0 112.267 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -152.37 156.13 38.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.121 0.968 . . . . 0.0 112.984 -172.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 75.4 mt -78.9 -17.74 55.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.693 1.197 . . . . 0.0 113.598 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -177.86 -168.17 37.03 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.843 1.211 . . . . 0.0 114.077 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.345 0 C-N-CA 125.672 1.606 . . . . 0.0 113.668 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.99 153.09 53.82 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 124.967 3.778 . . . . 0.0 113.111 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 98.8 mmm -87.13 147.58 25.58 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.241 1.016 . . . . 0.0 112.135 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 171.95 166.59 30.85 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.548 1.071 . . . . 0.0 113.793 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 99.6 mmm -93.96 151.0 19.86 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.828 1.251 . . . . 0.0 112.561 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -97.89 167.75 10.73 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.844 1.258 . . . . 0.0 110.743 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 5.8 t -158.15 178.7 9.9 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.091 -1.005 . . . . 0.0 112.525 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 17.6 mm -106.36 158.63 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 126.627 1.971 . . . . 0.0 110.842 -173.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -70.48 21.15 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 116.088 1.885 . . . . 0.0 116.088 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -139.84 155.31 47.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.884 2.074 . . . . 0.0 109.766 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -139.29 141.05 37.77 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.283 0.633 . . . . 0.0 112.191 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.1 p -71.74 150.24 44.64 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.178 0.99 . . . . 0.0 112.813 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 33.8 t -157.9 162.35 38.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.362 1.465 . . . . 0.0 110.274 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -84.58 143.15 29.47 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.506 0.722 . . . . 0.0 110.291 168.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 11.8 m -142.77 164.35 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.389 1.876 . . . . 0.0 110.94 -171.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.67 139.03 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 125.881 1.672 . . . . 0.0 110.826 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 63.3 m -109.74 115.59 30.13 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.972 1.309 . . . . 0.0 108.254 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.4 117.05 14.69 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 168.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.42 -21.21 59.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.613 1.165 . . . . 0.0 112.007 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 27.4 m -80.93 -42.55 21.17 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.669 1.188 . . . . 0.0 111.478 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 82.6 m -99.11 -18.64 17.61 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 70.24 34.53 2.32 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.464 2.305 . . . . 0.0 113.75 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.33 158.86 18.55 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.792 1.237 . . . . 0.0 112.219 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 22.1 m -122.11 132.55 54.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.622 1.569 . . . . 0.0 109.694 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -159.51 -178.35 7.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.221 1.408 . . . . 0.0 111.533 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.411 ' CE1' ' HE3' ' A' ' 796' ' ' LYS . 1.4 m-85 -70.52 -26.96 63.82 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.916 1.286 . . . . 0.0 113.328 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -158.47 155.67 25.89 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.913 1.685 . . . . 0.0 112.279 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -81.33 160.19 20.02 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.307 2.672 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -75.43 157.9 33.45 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.746 0.784 . . . . 0.0 112.777 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.47 -33.91 74.55 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.719 -0.613 . . . . 0.0 111.457 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 17.7 p -66.25 -41.88 89.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.551 1.14 . . . . 0.0 112.024 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.2 m -63.96 -40.2 95.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.475 0.71 . . . . 0.0 111.554 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.81 -43.29 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.637 0.775 . . . . 0.0 111.555 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 74.4 m -72.25 -38.0 68.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.466 1.107 . . . . 0.0 113.784 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -81.62 -3.91 54.68 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.534 1.134 . . . . 0.0 112.543 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 58.18 49.75 10.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.063 1.745 . . . . 0.0 112.119 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -60.48 151.69 27.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.092 0.957 . . . . 0.0 110.276 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -83.77 138.82 33.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.111 0.564 . . . . 0.0 109.975 172.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.02 37.77 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -108.71 123.97 49.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.717 1.207 . . . . 0.0 109.847 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.32 147.27 23.05 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.014 0.926 . . . . 0.0 112.277 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -163.08 -178.58 6.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -100.07 150.78 22.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.153 -0.967 . . . . 0.0 112.341 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.67 -157.1 7.84 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 126.659 2.076 . . . . 0.0 112.347 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.91 137.56 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.359 1.464 . . . . 0.0 110.902 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 776' ' ' PHE . 11.6 ptmt -111.9 143.3 43.1 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.884 1.273 . . . . 0.0 113.967 -170.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.85 153.69 32.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.338 2.255 . . . . 0.0 110.03 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.78 142.83 43.65 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.421 1.489 . . . . 0.0 110.817 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -137.64 150.57 47.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.794 0.806 . . . . 0.0 113.024 -172.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -130.94 141.84 50.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.219 1.808 . . . . 0.0 111.619 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.74 149.44 35.72 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.21 1.804 . . . . 0.0 110.22 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.41 -21.69 46.42 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.473 2.782 . . . . 0.0 116.053 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -76.02 -10.92 59.81 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.374 1.443 . . . . 0.0 113.817 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.62 -13.9 42.44 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.643 2.068 . . . . 0.0 114.502 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -62.94 158.6 18.8 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.112 1.456 . . . . 0.0 113.007 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -131.51 162.37 30.41 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.224 1.41 . . . . 0.0 112.548 -170.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -161.71 174.64 12.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.951 1.7 . . . . 0.0 110.983 169.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.4 mt -142.29 141.55 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.903 2.081 . . . . 0.0 108.513 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 20.6 t -155.3 168.0 28.5 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.863 0.865 . . . . 0.0 111.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -95.5 -23.73 16.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.241 1.816 . . . . 0.0 110.991 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -85.86 169.81 12.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.037 1.335 . . . . 0.0 111.715 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -61.2 -15.84 38.61 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.53 131.83 3.92 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 127.123 2.169 . . . . 0.0 108.806 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.78 150.92 83.31 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.895 3.063 . . . . 0.0 112.181 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -15.8 45.05 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 168.91 13.63 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -167.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -71.1 162.28 29.69 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.411 1.484 . . . . 0.0 114.604 -175.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.18 131.24 48.81 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.447 1.099 . . . . 0.0 111.878 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 9.9 m -72.32 -13.63 61.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.521 1.128 . . . . 0.0 113.626 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.54 -40.8 5.23 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.005 1.322 . . . . 0.0 112.277 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.86 -13.28 6.94 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.54 -5.2 80.21 Favored Glycine 0 N--CA 1.474 1.229 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 165.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 -169.31 2.54 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.841 1.32 . . . . 0.0 112.724 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -135.98 89.17 2.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.357 1.463 . . . . 0.0 110.178 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -137.32 32.54 2.57 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.528 1.531 . . . . 0.0 112.207 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -59.87 139.61 57.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -125.46 131.93 52.77 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.282 1.833 . . . . 0.0 108.897 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -72.01 129.68 39.12 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.03 0.532 . . . . 0.0 110.281 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -127.98 169.0 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.767 1.627 . . . . 0.0 111.419 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -79.03 -172.38 42.13 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.56 1.076 . . . . 0.0 115.266 -174.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 28.4 ttt -77.67 122.92 25.99 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.406 1.082 . . . . 0.0 111.845 -170.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . 0.463 ' CD2' ' H ' ' A' ' 832' ' ' LEU . 1.2 pt? -61.73 141.43 57.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.608 2.363 . . . . 0.0 112.276 167.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -91.07 -5.22 55.53 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -93.7 -174.6 3.51 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.145 1.778 . . . . 0.0 111.2 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -60.91 157.56 15.02 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 121.242 -0.911 . . . . 0.0 112.562 173.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 30.0 p -65.24 -20.42 66.42 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.249 1.819 . . . . 0.0 114.509 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -97.12 105.29 3.17 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-O 117.902 -1.499 . . . . 0.0 110.881 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.31 158.63 33.2 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.826 3.018 . . . . 0.0 111.776 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -76.99 -23.1 52.29 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 97.6 mt -87.33 164.98 15.96 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.883 1.673 . . . . 0.0 110.875 172.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 81.98 -175.0 53.96 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.585 1.088 . . . . 0.0 113.397 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.321 0 CA-C-O 117.824 -1.542 . . . . 0.0 113.255 -178.727 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -76.88 -22.97 11.2 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.816 3.011 . . . . 0.0 113.093 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 96.6 mtp -140.73 154.18 46.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.468 1.507 . . . . 0.0 111.582 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -93.45 173.36 33.97 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.991 1.281 . . . . 0.0 112.749 172.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 67.2 mtt -74.6 135.61 42.03 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.834 0.854 . . . . 0.0 111.464 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -164.76 125.48 2.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.46 1.504 . . . . 0.0 109.6 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 24.4 p -174.16 89.63 0.06 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.39 1.476 . . . . 0.0 110.817 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 11.2 mm -115.08 145.0 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.026 1.33 . . . . 0.0 109.923 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.28 28.09 0.32 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -132.62 154.28 50.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.752 2.021 . . . . 0.0 109.647 175.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -141.98 141.96 32.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -161.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.2 p -77.17 145.25 37.81 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.486 0.715 . . . . 0.0 112.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -161.78 167.71 24.43 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.901 1.281 . . . . 0.0 111.845 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -75.86 140.63 42.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 110.785 174.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 13.3 m -139.55 165.52 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 127.636 2.374 . . . . 0.0 110.217 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 137.03 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.944 1.298 . . . . 0.0 111.709 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 90.8 m -106.2 116.94 32.79 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.01 1.324 . . . . 0.0 108.705 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.42 123.45 24.71 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 167.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -81.13 -20.18 41.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.206 1.002 . . . . 0.0 112.417 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -82.55 -38.97 22.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.274 1.43 . . . . 0.0 111.519 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.73 -16.36 16.02 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.313 1.045 . . . . 0.0 113.763 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.71 20.11 4.74 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.379 2.272 . . . . 0.0 113.987 176.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -88.16 162.11 16.89 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.106 -0.996 . . . . 0.0 112.5 172.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 89.9 m -126.29 121.97 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.804 1.242 . . . . 0.0 109.307 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -135.39 178.83 6.73 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.366 1.866 . . . . 0.0 111.054 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -67.31 -32.73 73.89 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.25 1.42 . . . . 0.0 112.751 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -158.89 155.96 25.72 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 126.628 1.971 . . . . 0.0 111.557 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.88 150.48 34.53 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.343 2.029 . . . . 0.0 110.035 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -71.25 159.6 34.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.283 1.039 . . . . 0.0 112.373 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.6 -37.71 76.43 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.826 0.851 . . . . 0.0 111.754 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.8 p -65.34 -42.29 93.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.783 1.233 . . . . 0.0 111.74 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 92.0 m -66.43 -39.22 88.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.129 0.972 . . . . 0.0 112.021 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 88.2 t -69.83 -43.99 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.922 0.889 . . . . 0.0 111.389 173.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.3 t -71.4 -42.47 68.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -75.78 -14.45 60.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.284 1.034 . . . . 0.0 112.695 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 70.5 43.69 0.76 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.11 1.764 . . . . 0.0 112.59 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -58.27 154.17 13.85 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.04 1.336 . . . . 0.0 110.221 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -80.2 138.09 36.78 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.644 0.778 . . . . 0.0 109.815 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.21 150.43 46.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 174.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -112.15 121.0 43.73 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.946 1.298 . . . . 0.0 109.187 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -87.41 148.05 25.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.929 0.891 . . . . 0.0 111.79 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -162.31 178.82 8.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 111.142 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -93.13 145.9 24.06 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.354 -0.841 . . . . 0.0 111.833 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -149.67 -155.08 6.63 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.064 2.268 . . . . 0.0 111.817 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.11 136.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.381 1.473 . . . . 0.0 110.679 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.56 141.1 48.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.822 1.249 . . . . 0.0 112.771 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.47 155.18 44.13 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.874 2.069 . . . . 0.0 110.373 177.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -115.79 146.85 41.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.321 1.448 . . . . 0.0 111.388 -164.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -141.47 149.62 41.19 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.61 138.89 49.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.86 1.664 . . . . 0.0 111.986 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 43.5 t -95.49 148.75 35.11 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 127.201 2.2 . . . . 0.0 110.669 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.4 -18.71 47.42 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.295 2.663 . . . . 0.0 115.967 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.98 -10.55 59.44 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.438 1.472 . . . . 0.0 113.964 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 103.22 -8.99 53.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.724 2.107 . . . . 0.0 114.838 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.02 150.97 47.07 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.241 1.52 . . . . 0.0 111.87 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -135.51 159.53 41.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.657 1.183 . . . . 0.0 112.808 -171.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -154.89 178.64 9.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.553 1.541 . . . . 0.0 111.569 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.18 146.97 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.61 1.964 . . . . 0.0 108.804 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.0 t -147.21 160.75 42.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 122.359 1.076 . . . . 0.0 112.793 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.99 -8.26 43.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.896 2.079 . . . . 0.0 111.758 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -110.88 174.4 5.88 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.858 2.063 . . . . 0.0 111.23 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.08 -10.2 9.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.9 tp -156.79 144.08 13.76 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.292 2.237 . . . . 0.0 109.144 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -69.47 152.62 70.84 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.989 2.459 . . . . 0.0 110.942 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -3.03 53.87 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 155.55 27.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.814 1.646 . . . . 0.0 112.986 -171.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -79.72 165.55 22.7 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.97 1.308 . . . . 0.0 111.963 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.25 133.35 55.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.435 -0.79 . . . . 0.0 112.684 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.0 m -72.93 -16.38 61.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.583 1.153 . . . . 0.0 113.306 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.66 -31.15 8.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.15 1.38 . . . . 0.0 112.325 -169.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 15.6 p -138.92 -13.18 1.24 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.23 5.06 70.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.984 1.154 . . . . 0.0 115.984 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.09 167.66 9.61 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.051 1.426 . . . . 0.0 113.718 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -130.6 49.38 2.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.512 1.525 . . . . 0.0 110.598 166.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -109.84 23.33 14.53 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.35 1.86 . . . . 0.0 113.126 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -46.83 129.61 11.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.789 2.035 . . . . 0.0 114.115 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -106.34 132.24 52.61 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.109 1.763 . . . . 0.0 109.954 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 125.18 23.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.266 0.627 . . . . 0.0 110.547 173.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.82 177.46 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 126.147 1.779 . . . . 0.0 110.159 170.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -121.28 159.52 15.83 Favored Glycine 0 N--CA 1.473 1.13 0 N-CA-C 115.086 0.794 . . . . 0.0 115.086 -170.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 16.1 tpt -164.08 138.22 5.59 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.097 1.359 . . . . 0.0 113.737 166.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -171.02 155.29 4.42 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.045 2.138 . . . . 0.0 110.919 -172.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -97.14 -5.04 38.17 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -167.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.98 151.03 20.72 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.461 1.504 . . . . 0.0 112.294 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -76.99 162.77 27.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.723 1.209 . . . . 0.0 112.627 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 9.1 t -163.8 157.17 18.63 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.253 1.821 . . . . 0.0 111.013 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -101.02 161.64 18.43 Favored Glycine 0 CA--C 1.545 1.925 0 C-N-CA 125.523 1.535 . . . . 0.0 113.498 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.41 105.47 2.05 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.765 2.977 . . . . 0.0 110.002 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -16.69 63.61 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -169.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -81.29 -15.59 55.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.35 1.46 . . . . 0.0 114.229 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 73.54 -144.35 34.06 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.161 0.886 . . . . 0.0 112.503 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.9 -1.5 . . . . 0.0 112.65 178.581 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.347 0 CA-C-O 119.522 -0.599 . . . . 0.0 112.713 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.49 158.48 47.8 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 124.054 3.169 . . . . 0.0 111.302 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -82.45 -49.95 9.39 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.406 0.682 . . . . 0.0 112.232 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -98.05 -30.04 7.29 Favored Glycine 0 N--CA 1.474 1.201 0 C-N-CA 124.233 0.921 . . . . 0.0 114.507 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -84.48 32.72 0.51 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.757 1.623 . . . . 0.0 113.457 -171.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -84.86 -9.77 57.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.229 1.412 . . . . 0.0 113.497 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 61.8 p -87.79 -103.03 0.08 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.998 1.719 . . . . 0.0 113.004 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 24.4 mm -94.79 163.0 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 127.491 2.317 . . . . 0.0 110.888 -171.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -72.55 55.87 0.37 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.419 1.888 . . . . 0.0 114.33 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -167.7 164.9 14.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.823 2.849 . . . . 0.0 110.305 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -152.73 142.25 21.75 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.55 0.74 . . . . 0.0 111.712 -172.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 21.4 p -70.09 142.42 52.64 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 111.725 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 36.6 t -154.37 155.46 35.1 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.276 1.03 . . . . 0.0 111.505 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -73.54 141.56 46.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 109.989 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 10.8 m -139.51 163.1 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.274 2.23 . . . . 0.0 110.906 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 10.8 p -134.52 141.55 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 126.419 1.888 . . . . 0.0 110.394 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 89.5 m -112.18 117.52 32.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.993 1.317 . . . . 0.0 108.937 168.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.1 t -74.44 123.06 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.562 0.745 . . . . 0.0 109.065 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.47 -17.78 47.49 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.312 -0.867 . . . . 0.0 112.622 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 57.7 m -81.69 -40.41 22.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.441 1.096 . . . . 0.0 111.429 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.83 -16.72 16.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 72.17 22.24 3.69 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.594 2.358 . . . . 0.0 113.533 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -99.2 156.08 17.15 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.445 1.098 . . . . 0.0 112.946 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 59.7 m -120.53 132.13 55.03 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.445 1.498 . . . . 0.0 110.114 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -155.39 -178.35 7.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.11 1.764 . . . . 0.0 111.344 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -68.34 -32.07 71.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 0.0 113.131 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -159.68 154.7 21.44 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.609 1.964 . . . . 0.0 111.574 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -78.08 151.0 26.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.987 2.458 . . . . 0.0 110.599 -175.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -68.09 157.21 35.77 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.485 0.714 . . . . 0.0 112.416 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.06 -31.49 71.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.5 p -66.16 -45.52 80.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.312 1.445 . . . . 0.0 110.992 171.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.96 -41.4 97.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.06 0.944 . . . . 0.0 111.879 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.78 -43.18 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.625 0.77 . . . . 0.0 111.469 175.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -39.62 69.26 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.211 -0.931 . . . . 0.0 113.3 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -80.21 -3.04 47.46 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.669 1.188 . . . . 0.0 112.767 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 22.7 m120 62.46 45.48 6.37 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.88 1.672 . . . . 0.0 113.079 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.09 154.16 20.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.017 0.927 . . . . 0.0 110.756 172.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.94 138.0 32.76 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.913 0.885 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.5 152.17 37.58 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -116.78 137.38 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.871 1.269 . . . . 0.0 110.802 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -103.98 150.83 23.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.664 1.185 . . . . 0.0 112.348 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -164.92 -167.02 1.12 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.701 2.0 . . . . 0.0 110.808 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -115.92 151.15 35.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.608 1.163 . . . . 0.0 112.422 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -151.43 -152.23 5.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 127.532 2.492 . . . . 0.0 112.213 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -150.47 136.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.429 1.492 . . . . 0.0 110.74 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -109.38 144.54 37.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.856 1.262 . . . . 0.0 114.198 -170.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -118.62 146.2 44.83 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.152 2.581 . . . . 0.0 109.944 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -112.11 138.33 48.92 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.374 1.069 . . . . 0.0 112.43 -171.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -133.09 148.74 52.16 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.162 0.985 . . . . 0.0 113.533 -172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -127.87 141.74 51.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.012 1.725 . . . . 0.0 111.535 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 46.5 t -96.85 149.02 35.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.542 1.937 . . . . 0.0 109.992 170.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.72 -19.37 45.75 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.589 2.859 . . . . 0.0 115.764 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.1 p -77.13 -11.19 59.78 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 120.251 1.387 . . . . 0.0 114.005 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.59 -14.61 38.66 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.73 2.109 . . . . 0.0 114.496 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.01 154.76 25.72 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.53 1.165 . . . . 0.0 112.316 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -129.12 156.42 43.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.381 1.472 . . . . 0.0 112.344 -172.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.7 t -155.24 172.59 17.92 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.664 1.586 . . . . 0.0 111.599 168.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.6 mt -140.37 141.69 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.526 1.93 . . . . 0.0 108.699 -175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.5 t -153.83 172.07 17.93 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.223 -0.923 . . . . 0.0 111.155 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.76 -24.96 18.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.402 1.481 . . . . 0.0 111.834 -175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -91.02 166.3 13.08 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.437 1.495 . . . . 0.0 111.691 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.95 -9.56 16.29 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.326 1.45 . . . . 0.0 114.835 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.26 138.31 10.62 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.049 1.74 . . . . 0.0 109.529 171.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -73.7 160.43 43.85 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.076 2.517 . . . . 0.0 110.873 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.09 21.23 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.97 153.14 19.66 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.386 1.474 . . . . 0.0 113.238 -172.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -80.63 164.66 22.7 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.131 0.972 . . . . 0.0 112.405 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.48 135.87 57.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.888 1.275 . . . . 0.0 112.43 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 12.6 p -82.64 -8.87 59.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.347 1.459 . . . . 0.0 113.74 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.3 m -106.27 -40.32 5.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.046 1.338 . . . . 0.0 112.81 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.3 -13.91 6.02 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.33 -8.02 72.14 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 164.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.13 -172.98 4.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.11 1.455 . . . . 0.0 113.097 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -128.71 100.97 5.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.214 1.405 . . . . 0.0 109.954 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -144.85 29.36 1.22 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.614 1.566 . . . . 0.0 112.343 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -60.6 141.32 56.8 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.341 1.056 . . . . 0.0 113.527 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -130.98 137.54 49.29 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.493 1.917 . . . . 0.0 109.913 176.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -64.88 119.17 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.155 1.382 . . . . 0.0 110.445 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -119.14 168.07 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.428 1.491 . . . . 0.0 110.774 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -76.82 174.88 54.01 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 122.153 0.863 . . . . 0.0 114.855 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 55.3 ttp -68.82 148.08 50.8 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.499 1.12 . . . . 0.0 112.124 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.53 112.03 13.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.869 1.268 . . . . 0.0 110.337 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -77.91 -18.44 56.12 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.72 147.24 25.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.828 2.851 . . . . 0.0 109.216 171.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.62 146.48 44.6 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.667 -0.645 . . . . 0.0 112.338 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 17.4 m -67.1 138.38 57.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.802 1.641 . . . . 0.0 110.109 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -83.78 -175.77 51.01 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.537 1.065 . . . . 0.0 114.15 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.82 139.78 89.83 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 124.175 3.25 . . . . 0.0 112.543 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -85.45 161.53 19.37 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.181 0.992 . . . . 0.0 112.94 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.76 -24.85 59.92 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.735 1.214 . . . . 0.0 112.862 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 78.82 -160.17 46.58 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.793 1.187 . . . . 0.0 113.602 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 C-N-CA 125.439 1.495 . . . . 0.0 112.917 -177.35 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 119.518 -0.601 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -54.01 -29.93 56.96 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 124.789 3.659 . . . . 0.0 115.008 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -60.64 -26.12 66.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.539 1.536 . . . . 0.0 113.782 -177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -115.0 5.97 21.99 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 126.06 1.79 . . . . 0.0 114.775 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 38.3 tpp -76.65 158.12 31.31 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.873 1.269 . . . . 0.0 112.912 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -129.76 178.3 6.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.984 1.714 . . . . 0.0 110.805 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 50.3 m -82.8 70.29 9.76 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.812 -1.18 . . . . 0.0 112.263 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 19.0 mm -70.53 150.83 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 125.15 1.38 . . . . 0.0 112.355 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -74.32 19.04 0.13 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.324 1.85 . . . . 0.0 115.672 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -130.96 133.03 45.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.269 1.828 . . . . 0.0 107.576 164.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -119.6 142.56 48.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -157.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.2 m -62.8 140.04 58.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.991 0.916 . . . . 0.0 112.392 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.6 t -149.6 163.48 37.75 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.655 1.182 . . . . 0.0 111.149 -172.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -90.83 134.57 34.34 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.108 0.963 . . . . 0.0 110.046 169.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.68 170.2 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.889 2.075 . . . . 0.0 110.483 -167.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.5 p -131.82 142.01 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.801 1.24 . . . . 0.0 111.152 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 53.0 m -111.32 116.92 31.79 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.139 0.976 . . . . 0.0 108.683 161.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 37.8 t -75.12 117.92 17.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 168.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.2 -20.29 52.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.297 1.039 . . . . 0.0 112.544 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 36.8 m -76.98 -42.69 37.91 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.693 1.197 . . . . 0.0 111.678 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 86.4 m -99.56 -16.72 18.17 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 55.6 mttm 85.76 6.8 0.4 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.061 2.944 . . . . 0.0 114.57 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -103.22 161.64 13.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.509 1.124 . . . . 0.0 113.999 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 21.9 m -110.51 138.32 47.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.686 1.595 . . . . 0.0 109.95 175.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.87 172.92 16.62 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.723 1.609 . . . . 0.0 112.485 -174.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.69 -33.61 74.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.15 0.98 . . . . 0.0 112.618 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -163.19 153.01 13.09 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 126.721 2.008 . . . . 0.0 111.151 -173.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -75.31 158.1 41.15 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.089 2.526 . . . . 0.0 110.23 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.3 158.23 36.21 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.205 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.16 -32.58 72.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.644 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -69.76 -39.9 76.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.8 1.24 . . . . 0.0 112.194 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.85 -42.45 94.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.301 0.955 . . . . 0.0 111.609 175.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.43 -42.71 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.803 0.841 . . . . 0.0 110.883 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.9 t -68.22 -43.29 78.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.168 0.895 . . . . 0.0 112.847 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.91 -3.8 40.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.078 0.951 . . . . 0.0 113.092 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 57.57 50.59 10.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.294 1.838 . . . . 0.0 112.127 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -61.42 153.18 27.76 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.309 1.044 . . . . 0.0 110.593 169.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -86.25 135.0 33.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.582 0.753 . . . . 0.0 110.227 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.77 153.91 48.46 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.628 0.771 . . . . 0.0 112.396 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -114.17 128.55 56.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.13 1.372 . . . . 0.0 109.232 166.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -91.96 146.09 24.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.343 1.057 . . . . 0.0 111.141 172.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -163.41 178.46 8.06 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.222 1.809 . . . . 0.0 110.978 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.65 154.29 17.41 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 121.14 -0.975 . . . . 0.0 112.839 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.85 -157.87 8.97 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.924 2.202 . . . . 0.0 111.614 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.9 139.29 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.388 1.475 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -111.2 136.83 49.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.844 1.658 . . . . 0.0 112.527 -172.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.36 143.22 35.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.893 1.677 . . . . 0.0 109.22 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -104.28 147.93 26.94 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.673 1.189 . . . . 0.0 110.236 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -135.97 143.51 44.89 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.461 0.704 . . . . 0.0 112.508 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -120.84 141.56 50.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.085 1.754 . . . . 0.0 111.89 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.41 149.23 35.85 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.518 1.927 . . . . 0.0 110.322 168.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -58.17 -22.62 57.57 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.196 2.597 . . . . 0.0 115.503 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -76.09 -12.98 60.21 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 120.218 1.372 . . . . 0.0 114.506 173.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.85 -13.36 34.83 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.363 1.935 . . . . 0.0 114.719 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -61.29 153.74 25.64 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.371 1.585 . . . . 0.0 112.154 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 27.1 mmt-85 -128.91 160.0 34.03 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.104 1.362 . . . . 0.0 112.812 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.1 t -158.44 178.27 10.34 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.276 1.83 . . . . 0.0 110.691 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.7 mt -141.31 146.5 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 126.27 1.828 . . . . 0.0 108.641 -175.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -141.48 159.03 43.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.258 0.623 . . . . 0.0 111.409 170.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.3 mt -82.86 -14.23 54.68 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.593 -0.692 . . . . 0.0 111.881 164.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -100.9 169.05 9.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.109 1.764 . . . . 0.0 112.025 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.41 -13.53 13.93 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.691 1.996 . . . . 0.0 115.238 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.6 tp -161.07 138.9 6.99 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.963 1.705 . . . . 0.0 109.882 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.74 157.57 43.76 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.383 2.722 . . . . 0.0 111.013 172.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -87.47 -27.36 22.72 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.83 147.98 30.18 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.585 1.154 . . . . 0.0 112.974 -164.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -82.08 161.04 23.04 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.906 -1.121 . . . . 0.0 111.683 172.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.41 139.45 58.2 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.814 1.246 . . . . 0.0 113.146 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -80.51 -17.21 52.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.219 1.008 . . . . 0.0 112.941 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 87.4 m -104.36 -36.6 7.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.013 1.325 . . . . 0.0 112.298 -168.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -129.87 -13.6 4.11 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.93 69.61 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.124 1.345 . . . . 0.0 116.011 163.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.64 -170.23 2.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.151 1.475 . . . . 0.0 113.026 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -133.23 95.55 3.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.614 1.565 . . . . 0.0 110.036 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.04 33.63 1.74 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.577 1.551 . . . . 0.0 112.111 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.03 134.53 57.18 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.942 -1.098 . . . . 0.0 113.211 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -119.65 135.6 54.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.134 1.774 . . . . 0.0 109.201 172.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -66.61 131.46 46.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.188 0.595 . . . . 0.0 110.414 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.31 169.65 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.328 1.851 . . . . 0.0 110.091 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -101.13 158.5 18.96 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.498 1.047 . . . . 0.0 114.585 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 28.1 ttt -162.11 143.48 10.77 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.884 1.674 . . . . 0.0 112.927 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . 0.284 0.0 OUTLIER -150.67 -137.55 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.926 1.29 . . . . 0.0 110.45 -166.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -69.71 -3.27 14.58 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -170.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.41 149.11 28.97 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.235 1.414 . . . . 0.0 112.207 176.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.4 -66.77 0.1 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.79 2.436 . . . . 0.0 115.495 172.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 18.3 p 70.15 -41.75 0.5 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 131.147 3.779 . . . . 0.0 113.53 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -131.79 177.72 18.43 Favored Glycine 0 CA--C 1.542 1.731 0 C-N-CA 127.035 2.255 . . . . 0.0 111.71 166.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.81 -23.63 22.2 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.76 2.973 . . . . 0.0 113.007 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -148.31 160.19 43.24 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.837 1.655 . . . . 0.0 112.15 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 8.0 tt -87.7 145.68 26.04 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.381 1.473 . . . . 0.0 111.3 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 87.01 177.95 49.01 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.97 1.271 . . . . 0.0 113.569 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.268 0 C-N-CA 125.687 1.613 . . . . 0.0 112.841 -177.534 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 CA-C-O 118.812 -0.993 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -59.42 164.68 10.56 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 124.828 3.686 . . . . 0.0 113.388 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 28.3 ptm -154.79 162.25 41.19 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.868 1.267 . . . . 0.0 112.575 -177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 89.01 163.14 39.19 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.908 1.242 . . . . 0.0 113.631 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.84 2.07 50.25 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.187 1.395 . . . . 0.0 114.087 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -152.03 145.99 25.22 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.285 1.834 . . . . 0.0 110.52 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 72.3 p -155.96 160.55 40.19 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.382 1.473 . . . . 0.0 111.293 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 11.6 mm -86.91 150.48 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.09 0.956 . . . . 0.0 110.255 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -76.98 42.3 0.31 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.893 2.077 . . . . 0.0 114.765 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.1 145.88 12.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 129.924 3.289 . . . . 0.0 108.585 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -127.21 137.93 53.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.935 0.894 . . . . 0.0 112.506 -166.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.9 m -64.7 129.74 40.96 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.4 -0.812 . . . . 0.0 112.157 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 89.0 m -130.31 173.63 10.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.11 1.764 . . . . 0.0 111.723 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -91.2 143.77 26.32 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.484 0.714 . . . . 0.0 109.768 160.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.74 163.13 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 127.459 2.303 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.6 p -135.2 136.88 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.125 1.37 . . . . 0.0 110.876 -174.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.0 m -107.8 114.22 28.01 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.81 1.244 . . . . 0.0 108.987 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -75.28 116.68 16.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -78.52 -17.9 55.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.338 1.055 . . . . 0.0 112.001 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.6 m -82.55 -38.55 23.59 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.457 1.503 . . . . 0.0 111.729 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 80.2 m -100.99 -16.43 17.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 68.87 48.67 0.72 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.698 1.999 . . . . 0.0 112.686 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -135.74 160.91 37.07 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.918 1.287 . . . . 0.0 112.516 171.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 29.1 m -119.97 135.95 54.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.527 1.531 . . . . 0.0 110.393 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.83 178.82 9.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.724 1.61 . . . . 0.0 110.563 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -21.16 61.04 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.523 -1.361 . . . . 0.0 114.465 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -155.08 153.42 27.17 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 124.709 1.204 . . . . 0.0 113.224 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -80.6 154.3 20.7 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.456 2.771 . . . . 0.0 109.288 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -76.42 158.98 30.87 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.797 0.808 . . . . 0.0 112.084 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.5 -32.88 72.93 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.623 -0.673 . . . . 0.0 112.172 174.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.9 p -66.32 -43.35 86.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.314 1.046 . . . . 0.0 111.451 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.18 -41.97 96.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.046 0.938 . . . . 0.0 112.088 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.53 -40.88 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.797 0.839 . . . . 0.0 111.096 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 18.0 t -69.66 -43.27 72.91 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.161 0.891 . . . . 0.0 113.205 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.77 -5.74 49.42 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.608 1.163 . . . . 0.0 112.925 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 56.8 51.94 10.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.243 1.817 . . . . 0.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -60.79 153.66 23.85 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.484 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.77 138.34 32.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.533 0.733 . . . . 0.0 110.345 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.12 152.97 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 122.042 0.925 . . . . 0.0 112.783 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -118.25 144.56 45.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.929 1.291 . . . . 0.0 109.757 166.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -105.8 146.97 29.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.08 . . . . 0.0 112.231 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -148.28 177.37 9.48 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.457 2.303 . . . . 0.0 109.854 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -100.2 155.57 17.68 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.374 -1.454 . . . . 0.0 112.841 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -165.98 -156.22 9.25 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.675 1.607 . . . . 0.0 113.163 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.75 135.55 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.11 1.364 . . . . 0.0 110.518 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -100.11 150.26 22.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.713 1.605 . . . . 0.0 113.28 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -120.62 138.01 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.38 2.272 . . . . 0.0 108.971 -169.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 831' ' ' MET . 22.9 m-85 -108.69 142.65 38.88 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.382 1.073 . . . . 0.0 112.216 -171.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -137.19 154.85 50.11 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.812 -173.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.84 142.72 47.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.912 1.685 . . . . 0.0 112.268 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.1 t -100.59 151.23 37.52 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.971 2.108 . . . . 0.0 111.173 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -46.76 -33.33 13.67 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 124.031 3.154 . . . . 0.0 116.607 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.4 p -77.58 -10.06 59.29 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 102.26 -9.03 55.93 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.177 1.846 . . . . 0.0 114.661 -176.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -62.62 154.82 27.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.882 1.341 . . . . 0.0 111.846 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -125.61 157.11 38.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.025 1.73 . . . . 0.0 111.784 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.7 t -155.34 173.86 16.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.649 1.18 . . . . 0.0 111.432 166.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.9 mt -139.78 146.54 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 126.441 1.896 . . . . 0.0 108.748 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.5 t -147.97 168.31 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.849 1.26 . . . . 0.0 111.055 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.7 mt -87.1 -17.53 32.61 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.182 -0.949 . . . . 0.0 112.238 165.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.55 161.26 17.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 112.246 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -64.07 -13.17 45.42 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.55 138.09 10.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 127.221 2.208 . . . . 0.0 108.308 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -71.13 166.11 30.24 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.347 2.698 . . . . 0.0 110.657 174.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 -8.29 12.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.664 1.186 . . . . 0.0 113.75 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -76.04 150.32 37.36 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 112.524 176.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -79.52 165.75 22.66 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.497 -0.752 . . . . 0.0 111.067 167.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 51.1 t -61.9 134.37 56.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.083 0.953 . . . . 0.0 112.791 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -74.09 -15.69 61.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.271 1.029 . . . . 0.0 113.769 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.2 m -106.24 -37.73 6.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 112.762 -171.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.56 -14.06 3.72 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.15 -3.65 76.78 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 164.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -177.23 6.6 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.338 1.569 . . . . 0.0 113.309 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -130.07 97.23 4.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.402 1.481 . . . . 0.0 110.028 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -144.05 27.21 1.46 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.959 1.703 . . . . 0.0 111.927 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -55.05 133.54 48.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.233 1.013 . . . . 0.0 112.947 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -114.11 132.31 56.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.916 1.686 . . . . 0.0 109.448 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -66.01 127.48 32.26 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.48 175.66 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.76 1.624 . . . . 0.0 110.589 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -106.8 160.94 14.08 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.577 1.084 . . . . 0.0 114.514 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' MET . . . . . 0.407 ' HB3' ' CE2' ' A' ' 798' ' ' PHE . 9.3 ttt -160.08 158.24 30.0 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.945 1.298 . . . . 0.0 111.705 169.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . 0.423 ' CD1' ' H ' ' A' ' 833' ' ' LYS . 0.2 OUTLIER -162.77 -179.09 6.57 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.958 2.103 . . . . 0.0 109.382 169.815 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . 0.423 ' H ' ' CD1' ' A' ' 832' ' ' LEU . 20.5 pttp -67.8 -13.96 62.56 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 -167.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -147.1 139.47 24.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.705 2.402 . . . . 0.0 109.901 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -79.49 139.95 37.45 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.217 1.007 . . . . 0.0 112.288 172.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 40.8 p -150.84 169.02 22.7 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.855 2.062 . . . . 0.0 110.794 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -72.45 130.68 15.79 Favored Glycine 0 CA--C 1.543 1.829 0 CA-C-O 117.644 -1.642 . . . . 0.0 110.562 169.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -56.2 145.37 77.08 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.025 3.15 . . . . 0.0 113.82 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -72.67 -21.59 61.05 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.696 0.798 . . . . 0.0 112.299 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.51 135.22 52.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.289 1.436 . . . . 0.0 110.509 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 79.73 -163.6 48.06 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.485 1.04 . . . . 0.0 113.246 -177.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.38 0 C-N-CA 125.288 1.423 . . . . 0.0 113.019 178.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 CA-C-O 119.482 -0.621 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.5 -43.86 0.88 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.657 2.905 . . . . 0.0 113.151 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 39.9 ttp 72.29 -27.21 0.18 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.924 2.49 . . . . 0.0 113.953 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -176.76 153.58 14.33 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.41 1.481 . . . . 0.0 113.936 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 70.5 mtm 72.73 -29.3 0.2 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.224 2.609 . . . . 0.0 115.856 162.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -76.8 -31.91 57.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.278 1.031 . . . . 0.0 112.494 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 21.6 m -94.67 153.55 17.76 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.76 1.224 . . . . 0.0 112.761 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 21.9 mm -89.34 146.61 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.288 1.035 . . . . 0.0 110.026 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -71.11 23.19 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.528 1.931 . . . . 0.0 116.144 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -141.49 157.51 45.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.313 1.845 . . . . 0.0 111.026 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -133.05 148.84 52.21 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.1 0.96 . . . . 0.0 112.725 -168.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 40.9 p -77.55 146.65 36.18 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.787 0.803 . . . . 0.0 111.982 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.0 m -146.65 161.56 40.3 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.439 1.896 . . . . 0.0 110.194 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -78.32 136.93 37.82 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.51 164.26 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 127.69 2.396 . . . . 0.0 109.866 -171.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.1 p -135.0 130.8 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 125.778 1.631 . . . . 0.0 110.643 -172.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 58.9 m -97.97 123.45 41.97 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.09 119.04 15.73 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 164.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -21.51 56.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.238 -0.914 . . . . 0.0 112.276 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.7 m -74.43 -48.91 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.026 1.331 . . . . 0.0 111.102 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.12 -18.86 19.83 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 72.12 23.8 3.31 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 127.63 2.372 . . . . 0.0 114.556 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -100.24 158.17 16.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.361 1.064 . . . . 0.0 112.459 172.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.0 m -119.42 138.11 53.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.257 1.423 . . . . 0.0 111.092 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -154.77 175.44 13.71 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.733 2.013 . . . . 0.0 110.095 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -33.91 73.82 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.718 -1.239 . . . . 0.0 112.812 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -136.73 156.67 75.99 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.363 1.865 . . . . 0.0 111.282 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -69.41 153.01 71.14 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.802 2.334 . . . . 0.0 110.476 172.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.2 160.5 26.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.693 0.797 . . . . 0.0 112.878 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.34 -37.63 78.32 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.662 -0.648 . . . . 0.0 111.52 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.4 p -62.89 -42.53 99.81 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.676 1.19 . . . . 0.0 112.003 173.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.7 m -68.98 -37.98 79.07 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.864 0.866 . . . . 0.0 112.116 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.15 -42.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.972 0.509 . . . . 0.0 110.83 172.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 -42.27 76.55 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -80.57 -7.79 59.36 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.667 1.187 . . . . 0.0 113.132 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 19.1 m120 65.44 44.61 3.06 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.189 1.796 . . . . 0.0 112.367 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -61.52 156.33 19.83 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.64 0.776 . . . . 0.0 110.719 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.75 137.78 32.09 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.345 0.658 . . . . 0.0 110.598 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.25 163.67 29.45 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -139.52 137.18 35.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 112.172 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -102.2 151.52 22.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.446 1.098 . . . . 0.0 113.559 -171.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -169.59 -177.38 2.71 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.173 2.589 . . . . 0.0 109.539 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -113.71 149.78 34.27 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.011 -1.68 . . . . 0.0 113.416 -174.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -162.07 -167.14 22.07 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.482 1.515 . . . . 0.0 114.116 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.52 134.31 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.514 1.526 . . . . 0.0 109.846 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.02 164.44 12.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.988 1.315 . . . . 0.0 113.987 -175.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -133.36 124.92 28.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.689 1.996 . . . . 0.0 109.352 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -98.09 139.42 33.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 111.579 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -132.94 153.77 51.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.686 1.195 . . . . 0.0 113.347 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -133.27 143.59 49.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.375 1.87 . . . . 0.0 111.629 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.95 147.91 34.58 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.752 2.021 . . . . 0.0 110.337 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.98 -19.38 55.23 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.434 2.756 . . . . 0.0 115.898 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -76.19 -12.0 60.02 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.206 1.366 . . . . 0.0 113.964 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 105.6 -8.48 43.68 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.265 1.888 . . . . 0.0 114.243 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.18 153.69 41.76 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 118.928 1.364 . . . . 0.0 111.897 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.84 155.14 44.59 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.944 1.698 . . . . 0.0 111.511 -173.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -157.22 174.82 14.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.917 1.287 . . . . 0.0 111.271 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -140.79 147.06 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.793 1.637 . . . . 0.0 108.806 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.9 t -143.94 175.31 10.12 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.919 -1.113 . . . . 0.0 111.007 170.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.48 -18.74 21.96 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.548 0.739 . . . . 0.0 111.292 162.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -87.53 167.15 14.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.013 1.325 . . . . 0.0 112.31 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -66.87 -13.12 61.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -163.03 136.9 4.66 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.678 1.991 . . . . 0.0 109.283 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -73.56 155.37 50.04 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 123.243 2.629 . . . . 0.0 110.689 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -17.47 20.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -69.35 145.93 52.55 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.712 1.605 . . . . 0.0 112.729 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -79.92 162.5 24.93 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.307 -0.87 . . . . 0.0 110.709 163.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.2 140.1 58.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.638 1.175 . . . . 0.0 112.771 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.2 m -85.6 -10.26 56.11 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.3 m -102.34 -42.21 6.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.596 1.158 . . . . 0.0 111.989 -175.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.7 p -123.34 -14.81 7.35 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.65 -6.67 74.22 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 165.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -170.25 2.57 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.404 1.602 . . . . 0.0 113.199 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -129.33 101.42 5.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.532 1.533 . . . . 0.0 110.284 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -145.17 29.32 1.18 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 126.287 1.835 . . . . 0.0 112.731 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.13 137.63 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.78 -1.2 . . . . 0.0 113.18 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -122.99 133.05 54.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.611 1.964 . . . . 0.0 109.502 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.27 125.27 25.56 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.369 0.668 . . . . 0.0 110.218 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.4 m -131.09 176.76 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.494 1.518 . . . . 0.0 110.784 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -109.29 172.52 16.27 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.421 1.01 . . . . 0.0 114.052 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 14.8 tpt -163.2 115.77 1.54 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.021 1.328 . . . . 0.0 113.739 166.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 tp -169.76 161.19 9.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.662 1.985 . . . . 0.0 110.782 173.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -76.24 -12.71 60.13 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -83.05 127.87 33.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.598 1.559 . . . . 0.0 109.965 171.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -67.38 147.96 52.24 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.39 -0.819 . . . . 0.0 112.855 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 26.7 p -77.55 -24.67 49.84 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.362 1.465 . . . . 0.0 114.26 -173.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 108.56 -122.18 6.54 Favored Glycine 0 CA--C 1.541 1.662 0 CA-C-O 117.807 -1.552 . . . . 0.0 112.132 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.93 150.62 61.39 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.31 2.673 . . . . 0.0 113.106 -172.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -83.14 -12.5 56.93 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.936 1.294 . . . . 0.0 113.477 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.07 151.94 44.02 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.598 1.559 . . . . 0.0 111.519 -174.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 84.46 0.46 89.37 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.418 1.009 . . . . 0.0 115.524 175.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 CA-C-N 118.839 1.319 . . . . 0.0 113.266 178.888 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.12 164.26 35.9 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 124.063 3.175 . . . . 0.0 112.203 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 28.3 ptm -158.51 161.35 37.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.919 1.687 . . . . 0.0 111.336 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -76.92 118.71 5.22 Favored Glycine 0 N--CA 1.469 0.844 0 C-N-CA 123.858 0.742 . . . . 0.0 111.853 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -66.58 -10.8 49.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -71.23 -19.95 62.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.628 1.171 . . . . 0.0 112.039 172.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 10.2 t -96.11 134.96 38.53 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.134 -0.979 . . . . 0.0 110.989 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.01 151.64 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.217 1.407 . . . . 0.0 109.885 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -71.02 34.83 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.986 2.114 . . . . 0.0 113.721 170.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.21 140.33 7.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 129.016 2.926 . . . . 0.0 108.45 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -118.91 145.05 46.06 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.726 0.774 . . . . 0.0 112.938 -159.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 50.2 p -76.59 151.6 36.22 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.7 0.762 . . . . 0.0 112.449 175.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -157.31 177.38 11.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 0.0 110.732 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.5 ttm105 -90.77 142.29 27.91 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.779 0.831 . . . . 0.0 109.611 167.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.62 162.68 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.31 1.844 . . . . 0.0 110.38 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.6 p -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.263 1.025 . . . . 0.0 111.477 -173.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 56.6 m -122.09 116.6 24.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.863 1.265 . . . . 0.0 108.806 162.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.0 t -69.96 120.79 16.21 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -80.46 -21.59 41.9 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.995 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.4 m -74.81 -47.2 31.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.063 1.345 . . . . 0.0 110.985 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -98.05 -16.14 19.73 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? 73.25 20.94 3.18 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.887 2.475 . . . . 0.0 114.56 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -97.04 156.49 16.34 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.473 1.109 . . . . 0.0 113.053 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 41.3 m -111.91 142.51 44.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.192 1.797 . . . . 0.0 109.58 173.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.6 168.72 25.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.899 1.28 . . . . 0.0 112.653 -168.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -72.22 -32.34 66.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 112.266 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.21 154.44 16.25 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 127.143 2.177 . . . . 0.0 110.453 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.57 151.96 42.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.644 2.229 . . . . 0.0 111.044 -176.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -69.78 161.96 28.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.903 0.881 . . . . 0.0 113.163 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.56 -36.76 81.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.238 -0.914 . . . . 0.0 112.15 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.2 p -63.87 -43.43 96.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.516 1.126 . . . . 0.0 111.553 171.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.0 -40.09 94.44 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.813 0.845 . . . . 0.0 112.181 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 87.0 t -71.42 -41.97 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.576 0.75 . . . . 0.0 111.665 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 113.015 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -76.66 -9.7 58.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.048 0.939 . . . . 0.0 112.604 173.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 58.7 52.18 7.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.598 1.559 . . . . 0.0 112.256 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.43 157.45 11.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.225 1.01 . . . . 0.0 110.487 169.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -84.53 137.88 33.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.704 -0.623 . . . . 0.0 110.375 173.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.81 148.09 41.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.475 0.655 . . . . 0.0 112.673 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.8 123.11 46.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.235 1.414 . . . . 0.0 109.775 166.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -96.11 149.81 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.805 0.842 . . . . 0.0 111.948 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -161.99 177.56 9.66 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.27 1.828 . . . . 0.0 110.362 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.29 154.99 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.84 -1.162 . . . . 0.0 112.374 174.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.29 -176.19 30.07 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.762 1.649 . . . . 0.0 112.855 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.1 t -126.95 124.61 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.005 1.322 . . . . 0.0 109.542 174.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -82.37 141.15 33.05 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.866 1.266 . . . . 0.0 112.41 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -111.19 134.69 52.59 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 126.14 1.776 . . . . 0.0 109.919 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -100.55 141.85 32.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.945 1.298 . . . . 0.0 111.109 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.55 155.11 50.99 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.206 1.002 . . . . 0.0 112.876 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -138.45 142.41 39.48 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.873 1.669 . . . . 0.0 111.688 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -100.27 147.79 34.01 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 127.015 2.126 . . . . 0.0 110.164 172.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.29 -18.87 47.53 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.416 2.744 . . . . 0.0 115.853 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.9 p -76.53 -12.43 60.03 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 120.62 1.555 . . . . 0.0 114.316 172.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.9 -8.51 39.33 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 126.564 2.03 . . . . 0.0 114.538 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -65.66 155.08 37.03 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.076 1.438 . . . . 0.0 111.832 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -131.45 157.89 42.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.979 1.712 . . . . 0.0 112.147 -171.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.4 t -160.43 173.51 15.49 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.416 1.487 . . . . 0.0 111.357 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 24.9 mt -139.22 142.28 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.661 1.984 . . . . 0.0 108.684 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -143.75 161.19 39.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.495 0.718 . . . . 0.0 111.793 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.83 -14.53 47.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.754 0.821 . . . . 0.0 112.535 166.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -91.31 166.17 13.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.253 1.421 . . . . 0.0 112.404 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -63.16 -14.98 55.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.514 1.526 . . . . 0.0 114.672 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.0 tp -162.28 139.11 6.12 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 127.246 2.218 . . . . 0.0 109.09 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.56 153.92 54.93 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.998 2.465 . . . . 0.0 110.78 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.25 -21.33 20.39 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 147.85 32.51 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.948 1.299 . . . . 0.0 113.214 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -80.8 164.06 22.99 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.263 -0.898 . . . . 0.0 111.692 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.74 139.95 58.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.278 1.031 . . . . 0.0 112.972 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 58.3 m -86.86 -11.86 49.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.263 1.025 . . . . 0.0 112.928 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.2 m -102.3 -41.14 6.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.334 1.454 . . . . 0.0 112.142 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -125.31 -13.62 6.63 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.53 -8.96 71.7 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 164.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -171.89 3.36 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.864 1.332 . . . . 0.0 113.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -129.34 96.3 4.26 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.187 1.395 . . . . 0.0 110.07 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.82 31.53 1.62 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.814 1.645 . . . . 0.0 112.125 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -58.94 134.21 56.74 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.086 -1.009 . . . . 0.0 112.186 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -119.91 135.88 54.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.768 1.627 . . . . 0.0 108.837 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -71.57 131.18 42.87 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.971 0.508 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.7 169.63 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.067 1.747 . . . . 0.0 110.993 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -104.43 161.76 15.25 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 124.511 1.053 . . . . 0.0 113.744 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 33.9 ttp -157.7 143.65 17.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.288 1.435 . . . . 0.0 111.98 172.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 tp -169.83 165.55 9.76 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.697 1.599 . . . . 0.0 111.1 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -83.03 -0.31 48.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -137.71 155.8 48.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.847 2.059 . . . . 0.0 111.067 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -69.7 151.99 45.19 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.046 1.338 . . . . 0.0 113.906 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 18.9 m -69.02 -38.06 79.01 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.973 1.709 . . . . 0.0 112.209 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -143.31 161.45 27.64 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.395 1.474 . . . . 0.0 112.738 173.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.86 -15.28 29.76 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.974 3.116 . . . . 0.0 113.674 -174.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -68.13 -26.17 65.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.41 1.084 . . . . 0.0 113.486 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 33.3 tp -70.07 146.19 51.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.739 1.215 . . . . 0.0 111.371 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -82.43 -145.94 5.75 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.339 1.447 . . . . 0.0 113.285 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.392 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.984 -179.249 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 CA-C-O 119.698 -0.501 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -58.67 146.56 91.44 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 124.411 3.407 . . . . 0.0 113.392 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 37.3 mmt -80.23 162.6 24.56 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.253 1.021 . . . . 0.0 112.323 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 85.93 13.66 68.87 Favored Glycine 0 N--CA 1.477 1.406 0 C-N-CA 124.301 0.953 . . . . 0.0 113.929 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 149.59 25.47 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.825 1.65 . . . . 0.0 112.668 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.63 -27.34 55.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.712 0.805 . . . . 0.0 112.538 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 5.6 t -168.57 -179.79 4.0 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.232 1.413 . . . . 0.0 111.263 177.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 18.0 mm -109.59 151.7 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.341 1.856 . . . . 0.0 109.015 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -70.1 20.57 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.69 152.78 48.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.349 1.86 . . . . 0.0 109.897 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -141.55 148.96 40.17 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.631 -0.668 . . . . 0.0 112.743 -165.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 61.0 p -81.32 159.76 24.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.498 1.119 . . . . 0.0 113.597 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -161.04 178.02 9.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.035 1.734 . . . . 0.0 111.707 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -91.39 143.11 26.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.509 0.724 . . . . 0.0 109.795 163.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 32.7 m -137.94 170.78 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 127.088 2.155 . . . . 0.0 110.215 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.5 p -141.44 141.65 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.557 1.143 . . . . 0.0 111.346 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -108.61 116.81 32.68 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.753 1.221 . . . . 0.0 108.831 165.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.4 t -74.39 119.71 18.96 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 166.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.95 -18.53 50.19 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.242 1.017 . . . . 0.0 112.417 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -81.34 -40.04 24.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.445 1.098 . . . . 0.0 111.692 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 73.4 m -100.8 -17.45 16.9 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 74.27 21.15 2.49 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 127.75 2.42 . . . . 0.0 113.499 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -96.55 158.46 15.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.514 -1.366 . . . . 0.0 112.864 174.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.2 m -117.48 135.15 54.12 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 109.42 171.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.1 -178.84 7.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.811 1.244 . . . . 0.0 111.795 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.7 -30.05 65.25 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.22 -0.925 . . . . 0.0 113.148 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -160.26 157.02 24.18 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 126.162 1.785 . . . . 0.0 111.605 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.78 152.76 37.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.462 2.108 . . . . 0.0 110.005 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -70.32 159.05 34.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.587 0.708 . . . . 0.0 111.947 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.84 -32.94 72.32 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 111.74 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.6 p -65.63 -43.67 88.81 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.664 1.186 . . . . 0.0 111.697 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.1 m -63.67 -40.85 97.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.433 1.015 . . . . 0.0 112.012 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.87 -42.75 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.693 0.797 . . . . 0.0 111.236 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.9 t -70.33 -42.06 72.4 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.036 0.934 . . . . 0.0 113.159 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.38 -4.81 44.28 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.423 1.089 . . . . 0.0 112.507 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 58.89 47.32 12.61 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.769 1.628 . . . . 0.0 112.18 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -60.76 152.16 27.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.513 1.125 . . . . 0.0 110.622 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -83.81 138.44 33.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.389 0.676 . . . . 0.0 109.939 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.35 153.24 42.52 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -115.99 128.58 55.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.086 1.354 . . . . 0.0 109.511 169.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.16 150.79 19.99 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.366 1.066 . . . . 0.0 111.901 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -164.38 178.82 7.19 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.538 1.935 . . . . 0.0 110.356 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -95.52 155.07 16.9 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.086 -1.008 . . . . 0.0 112.953 174.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.49 -176.86 30.03 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.648 1.594 . . . . 0.0 113.502 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 65.8 t -130.95 134.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.849 1.66 . . . . 0.0 109.149 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -104.46 148.78 26.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -172.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -114.98 132.65 56.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.539 2.336 . . . . 0.0 109.353 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -100.23 145.46 28.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.08 0.952 . . . . 0.0 111.336 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -135.73 153.45 51.57 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.717 0.807 . . . . 0.0 112.951 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -132.18 142.69 49.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.912 1.685 . . . . 0.0 112.125 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.77 150.2 36.52 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.461 1.905 . . . . 0.0 111.131 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.55 -24.0 59.56 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.399 2.732 . . . . 0.0 115.714 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 15.6 p -75.51 -12.77 60.3 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.75 -9.53 37.6 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.756 1.646 . . . . 0.0 114.78 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -65.54 155.23 36.35 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.724 1.262 . . . . 0.0 112.315 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -128.5 158.7 37.67 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.388 1.475 . . . . 0.0 111.662 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.1 t -157.94 174.99 14.42 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.642 1.577 . . . . 0.0 110.794 170.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.89 143.83 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.789 1.636 . . . . 0.0 108.985 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -140.57 165.95 26.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.227 1.011 . . . . 0.0 111.7 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.81 -9.08 44.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.503 1.121 . . . . 0.0 112.013 165.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.66 167.97 10.63 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.625 1.57 . . . . 0.0 111.509 174.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.49 -13.51 58.98 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.931 1.292 . . . . 0.0 114.125 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.7 tp -155.68 138.63 10.64 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.093 1.757 . . . . 0.0 109.792 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 154.62 54.04 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.552 2.835 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.03 -13.17 39.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 155.9 18.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.585 1.554 . . . . 0.0 113.702 -167.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -81.31 164.91 21.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.2 1.0 . . . . 0.0 111.83 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.34 134.24 56.73 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.382 -0.824 . . . . 0.0 112.313 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.0 m -73.21 -16.96 61.4 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.206 1.002 . . . . 0.0 113.06 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 93.4 m -107.91 -40.62 5.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 112.21 -167.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.87 -11.36 7.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.12 -7.06 81.33 Favored Glycine 0 N--CA 1.474 1.213 0 C-N-CA 125.189 1.376 . . . . 0.0 116.403 163.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -173.22 4.25 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 118.799 1.299 . . . . 0.0 112.615 178.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -129.4 97.25 4.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.239 1.416 . . . . 0.0 109.782 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -141.65 30.64 1.68 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.764 1.625 . . . . 0.0 112.215 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -60.2 132.92 55.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.096 0.959 . . . . 0.0 113.29 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -111.25 134.34 52.92 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.27 1.828 . . . . 0.0 109.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.74 129.24 37.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.972 0.415 . . . . 0.0 110.397 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.0 m -133.22 177.21 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.175 1.79 . . . . 0.0 110.488 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -108.71 174.05 18.21 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.459 1.028 . . . . 0.0 113.986 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 19.2 ttt -166.25 133.24 2.63 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.825 1.65 . . . . 0.0 113.684 168.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.3 tp -155.69 -175.46 5.44 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.973 2.109 . . . . 0.0 110.265 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -65.75 -19.53 65.93 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -105.3 130.25 53.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 125.559 1.543 . . . . 0.0 111.747 -158.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.32 158.27 31.98 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.181 0.992 . . . . 0.0 113.342 172.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 33.8 p -73.7 167.52 21.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.221 1.408 . . . . 0.0 110.83 171.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 82.88 -146.06 23.97 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-O 118.616 -1.102 . . . . 0.0 112.419 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -55.36 136.02 71.74 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 124.134 3.223 . . . . 0.0 113.434 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -74.13 -26.63 60.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.69 0.796 . . . . 0.0 112.218 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 41.0 tp -64.17 148.19 50.58 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.663 1.585 . . . . 0.0 111.348 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 83.91 145.02 6.39 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.526 1.06 . . . . 0.0 113.061 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.298 0 C-N-CA 125.908 1.718 . . . . 0.0 112.317 178.014 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 CA-C-O 119.365 -0.686 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.45 -21.6 17.03 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.694 2.929 . . . . 0.0 113.967 -173.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 93.8 mmm -75.51 0.75 16.18 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -175.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 66.11 -121.49 18.79 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.307 0.956 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -97.5 -2.41 42.0 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 174.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 135.3 -44.59 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.957 1 C-N-CA 133.106 4.563 . . . . 0.0 107.75 -171.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 71.3 m -93.11 149.38 21.27 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.024 1.33 . . . . 0.0 110.456 161.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 9.0 mm -74.0 142.79 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.067 0.947 . . . . 0.0 110.341 -177.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -79.98 37.92 0.38 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -173.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -151.09 160.71 43.73 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.759 2.423 . . . . 0.0 109.537 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -150.2 146.98 27.16 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 15.1 m -70.43 150.99 45.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.546 1.138 . . . . 0.0 112.713 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.3 t -151.15 161.06 43.42 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.218 1.407 . . . . 0.0 110.511 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -80.84 138.67 36.22 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 160.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.9 167.95 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 -170.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.28 137.79 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.883 1.273 . . . . 0.0 111.061 -171.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 82.7 m -106.8 117.73 34.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.446 1.098 . . . . 0.0 108.336 164.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.05 117.79 16.25 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.9 -23.93 58.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.199 1.0 . . . . 0.0 111.876 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -75.7 -46.78 29.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.931 1.292 . . . . 0.0 111.158 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.8 m -96.1 -17.59 20.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.47 30.87 2.4 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.599 2.359 . . . . 0.0 114.105 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -111.08 157.53 19.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.552 1.141 . . . . 0.0 112.285 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.2 m -118.86 134.21 55.31 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.664 1.586 . . . . 0.0 110.38 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.97 -179.26 7.39 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.517 1.927 . . . . 0.0 110.827 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -22.34 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.702 -1.249 . . . . 0.0 113.82 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -161.28 153.47 16.72 Favored Pre-proline 0 N--CA 1.478 0.971 0 C-N-CA 125.515 1.526 . . . . 0.0 113.148 -175.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -77.39 153.62 31.22 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.77 2.314 . . . . 0.0 110.493 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -71.49 161.21 31.4 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.168 0.985 . . . . 0.0 112.398 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.23 -39.35 75.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.241 -0.912 . . . . 0.0 111.641 173.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 9.6 p -66.54 -39.37 88.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.578 1.151 . . . . 0.0 112.021 173.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 91.0 m -64.47 -39.36 93.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.865 0.866 . . . . 0.0 111.657 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.31 -41.69 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 72.2 m -73.46 -39.13 65.16 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -77.44 -17.36 58.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.692 0.797 . . . . 0.0 111.943 168.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.82 49.43 0.37 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.638 1.975 . . . . 0.0 112.354 172.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -57.42 155.82 8.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.803 1.641 . . . . 0.0 110.89 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.63 136.68 35.53 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.15 0.58 . . . . 0.0 109.889 172.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.97 152.07 46.02 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.5 0.72 . . . . 0.0 112.801 176.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -114.11 126.27 54.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.1 1.36 . . . . 0.0 109.744 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -95.0 149.39 21.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.096 0.959 . . . . 0.0 112.391 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.33 -170.78 2.17 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.791 2.036 . . . . 0.0 110.413 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -110.28 152.13 26.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.113 -0.992 . . . . 0.0 113.312 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.87 -169.39 21.46 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.975 1.75 . . . . 0.0 112.7 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.14 137.83 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.482 1.513 . . . . 0.0 109.408 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -108.68 144.01 37.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.837 1.255 . . . . 0.0 113.416 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.83 151.2 38.5 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.834 2.054 . . . . 0.0 109.698 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 831' ' ' MET . 29.5 m-85 -110.38 139.59 45.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.224 1.41 . . . . 0.0 111.66 -171.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.26 151.82 51.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.73 0.812 . . . . 0.0 112.992 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.87 141.4 46.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.918 1.687 . . . . 0.0 111.733 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.3 t -96.56 148.25 34.16 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 126.226 1.81 . . . . 0.0 110.337 172.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.59 -19.01 42.85 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 123.356 2.704 . . . . 0.0 116.333 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.5 p -77.9 -12.18 59.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.091 1.314 . . . . 0.0 114.368 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.37 -9.8 38.87 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.386 1.946 . . . . 0.0 114.831 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.74 155.22 30.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.655 1.727 . . . . 0.0 112.025 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -130.27 156.11 45.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.416 1.486 . . . . 0.0 111.845 -173.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -158.54 173.57 16.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.233 1.413 . . . . 0.0 112.007 169.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.6 mt -139.95 145.18 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 127.018 2.127 . . . . 0.0 108.329 -174.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.7 t -148.53 162.23 40.06 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.974 -1.079 . . . . 0.0 111.629 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 98.1 mt -81.47 -20.97 39.1 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.57 -0.706 . . . . 0.0 112.006 167.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -89.01 164.01 15.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.879 1.272 . . . . 0.0 111.594 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -11.18 22.28 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.2 tp -156.56 135.08 7.51 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 126.405 1.882 . . . . 0.0 109.857 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.82 157.01 61.74 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.496 2.798 . . . . 0.0 111.867 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -16.93 31.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.11 150.84 22.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.591 1.557 . . . . 0.0 113.469 -167.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -81.62 162.95 22.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.298 1.039 . . . . 0.0 111.658 173.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.98 137.84 58.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.683 1.193 . . . . 0.0 113.068 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 3.7 p -85.91 -10.13 55.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.737 1.615 . . . . 0.0 113.427 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 97.6 m -103.97 -40.85 6.05 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.684 1.194 . . . . 0.0 112.688 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.7 p -125.93 -14.42 6.12 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.76 -9.38 68.54 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.123 1.344 . . . . 0.0 116.438 164.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.38 -171.01 3.18 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.768 1.284 . . . . 0.0 113.402 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -132.34 94.58 3.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.672 1.589 . . . . 0.0 109.941 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -140.23 31.13 1.95 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.69 1.596 . . . . 0.0 112.314 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -59.06 130.62 47.91 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.023 -1.048 . . . . 0.0 112.934 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -108.23 132.78 53.31 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.102 1.761 . . . . 0.0 108.988 171.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -75.8 122.46 24.1 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.59 166.1 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.838 1.655 . . . . 0.0 111.778 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -91.61 135.89 13.01 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 123.52 0.581 . . . . 0.0 114.075 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' MET . . . . . 0.418 ' HB3' ' CD2' ' A' ' 798' ' ' PHE . 15.1 tpt -155.33 159.6 40.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.996 2.118 . . . . 0.0 109.665 160.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.89 163.03 22.11 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.959 1.304 . . . . 0.0 113.049 -157.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -69.64 152.25 44.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.967 0.907 . . . . 0.0 112.093 162.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -142.9 159.52 42.08 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.876 2.07 . . . . 0.0 110.536 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.25 144.12 55.97 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.588 1.155 . . . . 0.0 112.617 176.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 32.9 p -123.36 163.46 20.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.055 1.742 . . . . 0.0 111.811 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -88.54 -168.88 44.5 Favored Glycine 0 CA--C 1.543 1.833 0 C-N-CA 124.937 1.256 . . . . 0.0 113.169 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -56.15 147.06 67.49 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.385 3.39 . . . . 0.0 112.976 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -87.14 86.42 7.29 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.137 0.975 . . . . 0.0 111.94 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 11.1 mp -75.24 -29.21 60.16 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.859 1.264 . . . . 0.0 112.15 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -86.37 -178.88 49.57 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.012 1.292 . . . . 0.0 113.533 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.289 0 CA-C-O 117.936 -1.48 . . . . 0.0 114.255 -179.665 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 CA-C-O 119.248 -0.751 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.69 122.42 9.11 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.608 2.872 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 14.0 tpt -174.1 160.47 3.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.21 2.204 . . . . 0.0 109.496 -172.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 90.75 22.54 33.25 Favored Glycine 0 N--CA 1.475 1.245 0 C-N-CA 124.562 1.077 . . . . 0.0 113.99 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -56.35 127.73 32.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.716 1.207 . . . . 0.0 110.951 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 66.95 5.65 4.19 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.792 2.037 . . . . 0.0 113.772 -176.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 49.5 m -91.64 161.89 14.73 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.133 -1.605 . . . . 0.0 112.587 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.78 153.35 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.835 1.654 . . . . 0.0 109.668 -176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -66.06 7.32 0.3 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 135.5 34.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.17 1.788 . . . . 0.0 107.572 166.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -135.79 142.2 44.86 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -148.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 19.7 m -64.33 142.27 58.48 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.767 0.827 . . . . 0.0 112.701 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.37 160.44 42.65 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.83 1.252 . . . . 0.0 111.617 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -87.12 138.99 31.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.526 1.13 . . . . 0.0 110.188 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 14.0 m -140.44 168.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.632 1.973 . . . . 0.0 110.646 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.23 135.65 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.319 1.448 . . . . 0.0 110.606 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 29.7 m -113.14 119.32 37.42 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.269 1.428 . . . . 0.0 110.369 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.9 120.22 21.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.944 0.897 . . . . 0.0 109.376 169.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -80.09 -7.79 59.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.131 . . . . 0.0 112.544 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.7 m -89.98 -47.5 7.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.564 1.146 . . . . 0.0 110.606 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.6 m -96.96 -19.15 18.98 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -172.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 73.14 35.57 0.93 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.566 1.946 . . . . 0.0 114.356 173.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -106.54 161.54 14.52 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.66 1.184 . . . . 0.0 112.274 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 33.6 m -124.07 121.16 34.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.804 1.242 . . . . 0.0 108.711 166.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -129.25 172.97 10.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.584 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -38.92 86.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.921 0.889 . . . . 0.0 111.566 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.98 156.43 70.49 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.814 2.045 . . . . 0.0 110.665 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.42 151.14 25.75 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.486 2.124 . . . . 0.0 110.441 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.43 147.99 51.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.228 0.611 . . . . 0.0 111.769 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.67 -37.11 77.86 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.243 -0.91 . . . . 0.0 111.584 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 4.4 p -68.61 -37.41 79.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 112.821 174.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 73.3 m -66.55 -37.65 85.44 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.346 0.976 . . . . 0.0 112.223 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.48 -47.09 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.795 0.838 . . . . 0.0 111.151 172.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 34.1 m -72.74 -36.32 67.71 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -77.54 -10.32 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.982 0.81 . . . . 0.0 112.835 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.83 39.94 1.82 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.16 1.784 . . . . 0.0 112.762 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -59.65 153.0 21.08 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.796 1.238 . . . . 0.0 110.848 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -84.39 125.58 32.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.31 0.644 . . . . 0.0 110.906 173.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.66 149.06 52.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.564 1.146 . . . . 0.0 111.936 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -110.29 132.95 53.72 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.882 1.273 . . . . 0.0 110.308 171.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -91.45 149.31 21.76 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.841 1.257 . . . . 0.0 111.796 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -168.32 -175.67 2.64 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.652 1.981 . . . . 0.0 111.422 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.0 158.04 18.67 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.884 -1.135 . . . . 0.0 112.828 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.63 -153.53 7.1 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.111 2.291 . . . . 0.0 111.982 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 138.16 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.748 1.619 . . . . 0.0 110.553 174.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -97.36 139.49 33.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.661 1.184 . . . . 0.0 112.56 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -111.44 137.71 48.88 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.687 2.395 . . . . 0.0 108.577 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -102.34 145.04 30.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 110.052 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -135.91 153.2 51.51 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.791 0.837 . . . . 0.0 112.916 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -134.46 141.31 46.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.962 1.705 . . . . 0.0 111.283 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.46 148.44 34.96 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 126.91 2.084 . . . . 0.0 110.295 172.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.41 -20.69 41.46 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.122 3.215 . . . . 0.0 116.345 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.3 p -76.79 -12.37 59.97 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.129 1.331 . . . . 0.0 113.824 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.17 -7.78 41.02 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.511 2.005 . . . . 0.0 114.841 -177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -65.97 154.78 38.48 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.848 1.324 . . . . 0.0 112.185 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -130.88 157.39 43.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.949 1.7 . . . . 0.0 112.141 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -159.93 172.93 16.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.657 1.583 . . . . 0.0 111.29 170.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.9 mt -142.18 140.67 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.15 1.78 . . . . 0.0 108.62 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.3 t -155.13 165.62 36.14 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.077 -1.015 . . . . 0.0 112.252 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.79 -15.94 25.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.182 1.793 . . . . 0.0 111.743 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -85.8 164.38 17.6 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.423 1.489 . . . . 0.0 111.45 170.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.62 59.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.53 125.29 1.38 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 126.824 2.049 . . . . 0.0 108.737 174.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.54 146.61 62.07 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.075 2.517 . . . . 0.0 110.859 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -5.08 58.4 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.6 154.55 17.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.614 1.566 . . . . 0.0 113.528 -175.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -79.47 162.91 25.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 112.541 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.24 135.9 57.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.994 0.902 . . . . 0.0 112.126 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 8.0 p -82.25 -8.95 59.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.227 1.411 . . . . 0.0 114.1 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 95.0 m -104.95 -44.71 4.74 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.699 1.2 . . . . 0.0 112.11 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -121.82 -14.19 8.13 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.67 -6.29 77.2 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 165.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 -167.45 1.88 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.046 1.423 . . . . 0.0 113.055 177.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -132.87 96.55 3.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.394 1.478 . . . . 0.0 110.142 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -144.11 32.05 1.24 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.713 1.605 . . . . 0.0 112.271 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -60.26 140.83 56.83 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.153 -0.967 . . . . 0.0 113.051 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -127.69 132.6 49.64 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.356 1.862 . . . . 0.0 109.232 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 58.8 ttp85 -67.43 129.35 39.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.271 0.628 . . . . 0.0 109.96 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.34 170.88 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.271 1.829 . . . . 0.0 110.152 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -101.96 158.88 18.3 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.116 0.865 . . . . 0.0 113.778 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 6.2 ttp -156.65 141.16 16.77 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 169.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.3 pt? 179.33 137.14 0.1 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.527 2.731 . . . . 0.0 109.015 -170.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -135.79 -8.61 2.12 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -167.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -71.14 -7.43 46.56 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -174.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -73.11 -17.83 61.36 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.445 1.898 . . . . 0.0 112.851 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 86.0 m -119.15 -47.69 2.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.407 1.883 . . . . 0.0 111.159 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 67.47 81.1 0.18 Allowed Glycine 0 CA--C 1.535 1.281 0 CA-C-O 117.877 -1.513 . . . . 0.0 111.068 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -57.73 143.0 96.18 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.126 3.218 . . . . 0.0 114.331 -172.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -92.75 -19.63 21.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.411 1.084 . . . . 0.0 113.041 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 86.5 mt -90.44 161.37 15.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.926 1.69 . . . . 0.0 112.034 -177.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -82.35 179.2 53.25 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.841 1.21 . . . . 0.0 113.021 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.024 1.297 . . . . 0.0 112.474 -179.409 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.376 0 CA-C-O 118.988 -0.896 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.31 158.32 22.96 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 124.685 3.59 . . . . 0.0 113.747 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 25.0 ptp -70.91 156.45 39.59 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -126.9 165.46 20.09 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.865 1.698 . . . . 0.0 112.716 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 98.6 mtp -134.41 143.5 47.62 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.112 1.765 . . . . 0.0 110.345 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -144.15 -59.74 0.39 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.107 0.963 . . . . 0.0 112.071 -175.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 20.0 m -84.33 55.52 3.39 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -165.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 3.0 mm -116.52 138.07 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.142 1.777 . . . . 0.0 109.474 -173.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 -82.74 62.5 6.37 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 123.155 1.455 . . . . 0.0 113.828 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -169.93 165.92 9.5 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 128.012 2.525 . . . . 0.0 111.585 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -151.21 150.46 30.63 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.874 0.87 . . . . 0.0 111.395 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 57.8 p -81.45 149.33 28.82 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -162.96 159.17 23.21 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.528 1.531 . . . . 0.0 110.812 -173.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -73.41 140.86 46.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.738 0.415 . . . . 0.0 111.054 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.16 167.28 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.474 1.909 . . . . 0.0 110.638 -170.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.3 p -145.89 133.43 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.571 0.748 . . . . 0.0 112.597 -169.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 46.4 m -103.84 115.13 29.91 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.569 1.548 . . . . 0.0 109.434 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.21 123.38 23.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 165.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -79.41 -23.64 43.07 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 112.314 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 25.7 m -75.95 -47.06 26.63 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.065 1.346 . . . . 0.0 111.026 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.5 m -96.17 -14.57 22.68 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.5 1.12 . . . . 0.0 113.27 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 68.65 19.35 8.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.467 2.307 . . . . 0.0 114.029 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -85.14 164.78 17.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.05 -1.031 . . . . 0.0 112.64 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.7 m -128.48 121.76 29.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.672 1.189 . . . . 0.0 109.3 167.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -133.52 177.71 7.49 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.143 1.777 . . . . 0.0 111.339 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -73.75 -30.87 63.04 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.367 1.067 . . . . 0.0 112.943 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.68 157.38 58.7 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.904 2.082 . . . . 0.0 110.754 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.66 144.74 50.04 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.86 1.707 . . . . 0.0 109.281 172.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.13 154.58 34.2 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.886 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -62.32 -33.06 73.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.259 1.024 . . . . 0.0 111.191 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 13.2 p -64.11 -45.29 89.27 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.723 1.209 . . . . 0.0 111.321 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.6 -35.81 77.85 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.415 1.086 . . . . 0.0 112.34 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.7 -43.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.674 171.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.4 t -69.09 -44.11 73.17 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -79.11 -5.73 54.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.379 . . . . 0.0 112.81 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 57.22 49.83 12.73 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.065 1.746 . . . . 0.0 112.596 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -62.27 155.73 24.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.823 0.849 . . . . 0.0 110.427 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.36 135.94 33.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.501 -0.75 . . . . 0.0 110.403 172.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 150.62 50.68 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -113.02 121.96 46.2 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.16 1.384 . . . . 0.0 110.205 170.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -83.07 147.34 28.18 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.275 1.03 . . . . 0.0 112.212 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -161.38 -173.35 3.77 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.437 1.895 . . . . 0.0 110.338 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -108.28 145.32 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.178 -0.951 . . . . 0.0 111.996 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -148.87 -163.86 11.17 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 126.166 1.841 . . . . 0.0 112.996 -177.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 88.1 t -136.46 138.53 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.196 1.398 . . . . 0.0 110.456 -178.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -115.34 148.37 39.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.279 1.431 . . . . 0.0 114.282 -175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.77 153.97 44.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.027 2.131 . . . . 0.0 111.028 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -116.7 135.71 53.55 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.135 1.374 . . . . 0.0 111.198 -166.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.05 146.51 50.41 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.88 143.39 51.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.61 1.564 . . . . 0.0 111.976 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.4 t -100.41 147.85 34.14 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 126.594 1.958 . . . . 0.0 110.522 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.31 -19.47 43.02 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 123.634 2.889 . . . . 0.0 116.462 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -75.5 -13.75 60.39 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 120.464 1.484 . . . . 0.0 113.891 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.19 -7.45 32.7 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.876 2.179 . . . . 0.0 114.297 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -65.5 153.29 41.84 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.103 1.452 . . . . 0.0 112.45 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -133.1 147.93 52.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.162 1.785 . . . . 0.0 111.862 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.3 t -154.14 169.42 23.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.573 1.549 . . . . 0.0 111.55 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.1 mt -132.07 144.75 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.14 1.776 . . . . 0.0 108.396 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 14.2 t -140.93 160.63 39.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.386 -0.821 . . . . 0.0 112.197 172.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.6 mt -84.03 -25.54 29.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.146 0.979 . . . . 0.0 111.687 168.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -85.25 165.85 17.0 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.027 1.331 . . . . 0.0 112.407 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -61.13 -12.8 13.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.569 1.547 . . . . 0.0 115.127 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.0 tp -164.49 142.56 5.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.692 2.397 . . . . 0.0 108.558 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.21 176.83 6.57 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 123.203 2.602 . . . . 0.0 110.913 170.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.31 4.62 1.61 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 8.48 43.3 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 -168.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 29.3 m80 73.99 171.41 0.29 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.545 2.338 . . . . 0.0 112.687 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.41 132.72 42.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 111.899 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 5.8 m -71.36 -17.93 62.4 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.873 1.269 . . . . 0.0 113.106 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 -40.61 4.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.818 1.247 . . . . 0.0 112.87 -167.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -123.07 -12.62 7.91 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.48 -8.75 78.57 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.696 1.141 . . . . 0.0 115.857 163.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.66 -167.09 1.37 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.997 1.398 . . . . 0.0 112.789 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.06 90.06 2.4 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.249 1.419 . . . . 0.0 110.292 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -136.36 26.48 3.17 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.566 1.546 . . . . 0.0 113.018 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.77 131.89 47.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.698 1.199 . . . . 0.0 113.124 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -121.21 132.04 54.59 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.754 2.022 . . . . 0.0 109.472 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -68.04 125.61 26.88 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.838 -0.539 . . . . 0.0 110.542 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 21.4 m -109.77 170.25 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.181 1.792 . . . . 0.0 110.984 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -74.61 178.08 45.93 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.683 1.135 . . . . 0.0 114.621 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.95 142.47 57.26 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.37 1.468 . . . . 0.0 112.118 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.14 141.41 41.91 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.955 1.302 . . . . 0.0 111.362 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -84.64 -21.89 30.1 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.11 142.73 47.51 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.033 1.733 . . . . 0.0 111.642 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -88.68 157.91 18.39 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.247 1.019 . . . . 0.0 112.953 -173.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 34.2 p -77.05 -27.81 54.52 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.452 1.501 . . . . 0.0 113.403 -177.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -175.01 172.67 45.69 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.055 1.312 . . . . 0.0 114.169 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.81 145.32 32.07 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.845 3.03 . . . . 0.0 111.443 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -169.17 170.2 8.84 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.606 1.962 . . . . 0.0 112.059 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.84 146.92 39.49 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.963 0.905 . . . . 0.0 111.209 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -92.79 -15.05 54.05 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.592 1.092 . . . . 0.0 114.317 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.2 0 C-N-CA 125.476 1.512 . . . . 0.0 113.327 -177.779 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.867 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.4 170.81 19.38 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.424 3.416 . . . . 0.0 112.026 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.46 -12.06 61.2 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.48 10.85 81.22 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.958 1.266 . . . . 0.0 114.092 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 37.2 mmt -74.76 -18.29 60.51 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.939 1.296 . . . . 0.0 113.591 -176.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -73.93 -43.67 57.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.985 0.914 . . . . 0.0 111.712 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 47.8 m -143.76 128.19 17.93 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.192 0.997 . . . . 0.0 111.159 -170.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.05 141.72 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.673 1.189 . . . . 0.0 108.816 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -80.4 16.07 1.43 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.57 1.548 . . . . 0.0 114.778 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -142.33 148.4 37.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.127 2.571 . . . . 0.0 107.561 169.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -150.77 149.95 30.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -155.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.2 m -78.63 135.13 37.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.998 0.919 . . . . 0.0 112.729 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 31.6 m -142.03 167.0 23.17 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.449 1.9 . . . . 0.0 110.453 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -73.7 139.31 45.25 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.722 -0.611 . . . . 0.0 110.117 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -137.48 168.85 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 128.606 2.763 . . . . 0.0 109.684 -171.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 13.9 p -137.57 141.91 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 111.508 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 96.1 m -113.01 117.0 30.81 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.053 1.341 . . . . 0.0 108.531 167.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.76 120.14 21.51 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -78.51 -20.92 49.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.317 1.047 . . . . 0.0 112.64 177.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 32.9 m -76.78 -43.78 35.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.445 1.098 . . . . 0.0 111.148 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.15 -17.55 17.35 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.731 1.212 . . . . 0.0 114.234 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 72.51 22.32 3.39 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.452 2.301 . . . . 0.0 113.517 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -88.3 165.33 15.07 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.09 -1.006 . . . . 0.0 112.77 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 135.92 54.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.305 1.442 . . . . 0.0 107.86 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -155.27 174.43 15.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.551 1.14 . . . . 0.0 112.313 -170.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.42 -27.39 52.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.814 0.846 . . . . 0.0 112.305 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -165.4 152.08 9.11 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 127.523 2.329 . . . . 0.0 110.742 -175.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -74.54 155.01 45.22 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.54 2.16 . . . . 0.0 110.538 -177.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -69.3 159.91 32.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.306 1.05 . . . . 0.0 112.381 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -58.26 -38.33 76.71 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.157 0.983 . . . . 0.0 111.121 172.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 6.1 p -69.53 -37.44 77.12 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 112.567 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.2 m -65.96 -41.35 91.35 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.913 0.779 . . . . 0.0 111.566 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.54 -42.91 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.64 0.776 . . . . 0.0 111.031 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.0 t -67.92 -40.1 83.44 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -80.27 -7.59 59.08 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.496 1.118 . . . . 0.0 113.085 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 59.57 49.69 8.18 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.159 1.783 . . . . 0.0 112.323 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -60.34 153.7 22.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.106 0.962 . . . . 0.0 110.635 170.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -85.17 130.25 34.64 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.657 -0.652 . . . . 0.0 110.039 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.12 152.06 49.56 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.811 0.844 . . . . 0.0 113.019 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -117.86 130.79 56.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.179 1.392 . . . . 0.0 110.322 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -99.88 149.14 23.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.811 1.244 . . . . 0.0 112.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -167.02 179.96 4.94 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.48 1.912 . . . . 0.0 110.682 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -95.44 147.9 23.04 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 120.808 -1.182 . . . . 0.0 112.27 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.29 163.54 34.48 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.776 1.655 . . . . 0.0 113.466 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.66 132.66 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.025 0.913 . . . . 0.0 111.24 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -103.13 148.12 26.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.425 1.49 . . . . 0.0 113.255 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.08 149.36 51.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.663 1.985 . . . . 0.0 109.993 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -108.59 151.05 26.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.336 1.054 . . . . 0.0 111.08 -166.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -139.15 149.01 43.97 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.707 0.803 . . . . 0.0 112.535 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -131.4 139.46 49.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.224 1.409 . . . . 0.0 111.751 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.8 t -100.03 148.37 34.75 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 126.405 1.882 . . . . 0.0 110.334 174.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.27 -21.13 50.81 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.554 2.836 . . . . 0.0 115.963 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.7 p -75.81 -10.64 59.6 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 120.281 1.401 . . . . 0.0 114.095 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.44 -8.38 47.93 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.556 2.027 . . . . 0.0 114.493 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -64.33 153.64 37.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.834 1.317 . . . . 0.0 112.368 175.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -129.71 153.06 48.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.995 1.718 . . . . 0.0 111.745 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.6 t -157.07 -178.78 7.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.184 1.394 . . . . 0.0 111.414 169.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.62 146.65 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.894 2.078 . . . . 0.0 108.13 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 12.6 t -136.7 157.79 45.94 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.236 -0.915 . . . . 0.0 111.248 169.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.42 -20.8 29.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.959 0.904 . . . . 0.0 111.701 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.27 169.77 10.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.866 1.666 . . . . 0.0 111.784 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -58.26 -15.62 10.83 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.7 tp -159.32 142.5 10.53 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 126.43 1.892 . . . . 0.0 109.155 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.76 164.66 34.73 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.317 2.678 . . . . 0.0 111.644 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -114.57 -9.69 12.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.544 1.538 . . . . 0.0 114.027 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -88.51 -16.14 33.45 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -153.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.6 m80 70.94 162.29 0.24 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.087 2.155 . . . . 0.0 112.139 -167.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.3 135.58 54.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.602 1.161 . . . . 0.0 112.183 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 26.0 p -83.62 -9.4 58.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.014 1.326 . . . . 0.0 113.718 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 89.3 m -103.0 -46.82 4.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.882 1.273 . . . . 0.0 112.18 -178.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -120.16 -13.88 8.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.62 -11.0 72.06 Favored Glycine 0 N--CA 1.471 0.993 0 C-N-CA 125.086 1.327 . . . . 0.0 116.333 165.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.53 -171.7 3.73 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.016 1.408 . . . . 0.0 113.09 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -128.61 97.54 4.72 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.452 1.501 . . . . 0.0 110.432 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -142.63 29.49 1.55 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.203 1.801 . . . . 0.0 111.886 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -61.33 128.63 37.31 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.231 1.012 . . . . 0.0 112.924 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -107.29 135.37 48.92 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.304 1.842 . . . . 0.0 109.979 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.35 119.57 11.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.145 0.978 . . . . 0.0 110.182 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.09 170.53 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.781 1.232 . . . . 0.0 110.693 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -110.85 158.63 14.26 Favored Glycine 0 N--CA 1.464 0.511 0 C-N-CA 124.07 0.843 . . . . 0.0 114.551 -171.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 5.5 ttp -158.15 142.98 16.38 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 168.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.49 17.26 0.09 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.057 1.343 . . . . 0.0 113.994 -165.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -56.74 112.44 1.3 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.341 1.456 . . . . 0.0 112.788 -170.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -76.39 -159.02 0.11 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.193 1.397 . . . . 0.0 110.55 168.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -69.24 24.91 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 126.493 1.917 . . . . 0.0 116.057 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 6.2 t -64.32 167.72 6.47 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.603 1.961 . . . . 0.0 111.766 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -74.26 151.31 43.45 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.782 1.182 . . . . 0.0 114.412 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -56.93 137.28 11.39 Favored 'Cis proline' 0 N--CA 1.459 -0.543 0 CA-C-N 117.637 0.719 . . . . 0.0 111.863 -24.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.15 151.91 46.72 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -166.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.5 153.74 43.18 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.415 1.486 . . . . 0.0 112.169 -177.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -79.28 165.26 50.25 Favored Glycine 0 N--CA 1.474 1.211 0 C-N-CA 124.406 1.003 . . . . 0.0 113.23 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.256 0 C-N-CA 125.611 1.577 . . . . 0.0 112.795 179.81 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 CA-C-O 119.689 -0.506 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -69.6 -21.43 34.25 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.607 2.872 . . . . 0.0 113.75 -174.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 15.3 tpt -61.02 -26.93 67.96 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.109 0.868 . . . . 0.0 112.722 173.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.35 84.35 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 123.928 0.775 . . . . 0.0 112.81 174.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 77.9 mtm -74.73 -24.31 58.71 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.69 1.196 . . . . 0.0 112.883 174.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -84.8 -9.54 58.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.518 1.527 . . . . 0.0 112.846 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 5.6 t -73.29 173.12 9.97 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.77 147.68 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.14 1.776 . . . . 0.0 110.693 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -27.99 68.01 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -175.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.13 130.37 43.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.435 0.694 . . . . 0.0 109.985 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -143.01 141.23 31.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.346 0.594 . . . . 0.0 112.356 -155.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.8 m -66.26 143.16 57.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.01 0.924 . . . . 0.0 113.193 -175.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.5 t -151.8 161.38 42.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.974 1.31 . . . . 0.0 111.195 -173.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -79.07 140.02 37.98 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 166.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.5 m -143.06 170.39 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.857 2.063 . . . . 0.0 110.21 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.64 140.94 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.404 0.681 . . . . 0.0 112.675 -170.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 98.6 m -115.22 120.45 39.75 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.222 1.409 . . . . 0.0 109.856 171.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.5 t -78.96 124.35 28.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.161 0.984 . . . . 0.0 109.323 166.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -81.63 -18.93 42.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.935 0.894 . . . . 0.0 112.888 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.4 m -79.06 -47.2 16.61 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.741 1.217 . . . . 0.0 111.125 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 65.6 m -94.37 -20.23 19.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.559 1.144 . . . . 0.0 113.427 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 16.1 mttm 78.57 20.21 0.86 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.628 2.371 . . . . 0.0 113.925 166.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -102.94 157.67 16.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.962 1.305 . . . . 0.0 112.442 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.3 m -120.67 132.06 54.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.643 1.577 . . . . 0.0 109.542 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -158.51 -175.89 5.58 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.92 1.688 . . . . 0.0 111.86 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.41 -28.72 64.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.929 1.292 . . . . 0.0 113.359 -175.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -157.57 154.48 25.3 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.889 2.076 . . . . 0.0 111.529 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.71 155.15 44.35 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.797 2.332 . . . . 0.0 109.853 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.03 159.19 35.19 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.571 0.7 . . . . 0.0 112.356 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.47 -33.88 74.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.405 -0.809 . . . . 0.0 111.536 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -65.66 -42.27 91.55 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.77 1.228 . . . . 0.0 111.943 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.95 -41.17 95.72 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.264 1.026 . . . . 0.0 111.538 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.58 -45.67 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.802 0.841 . . . . 0.0 111.02 175.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.5 t -70.66 -44.1 67.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.952 0.901 . . . . 0.0 113.191 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -80.41 -5.37 56.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.298 1.039 . . . . 0.0 112.823 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.84 42.27 1.07 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.886 1.674 . . . . 0.0 113.435 166.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -60.92 152.65 26.99 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.553 1.141 . . . . 0.0 110.927 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.45 118.48 24.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.507 0.723 . . . . 0.0 110.024 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.77 151.56 46.55 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.117 0.967 . . . . 0.0 112.535 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -112.89 118.77 35.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.902 1.281 . . . . 0.0 109.804 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -82.92 148.02 27.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.212 1.005 . . . . 0.0 111.257 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -162.77 -176.38 4.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.005 1.722 . . . . 0.0 110.708 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -99.9 148.33 24.58 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.114 0.966 . . . . 0.0 112.567 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.67 -156.77 7.78 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.942 2.211 . . . . 0.0 111.757 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.83 141.61 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.136 1.374 . . . . 0.0 111.509 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -121.01 154.91 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 113.585 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.52 155.42 48.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.092 2.157 . . . . 0.0 110.847 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -117.17 137.8 52.09 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.614 1.566 . . . . 0.0 111.467 -167.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -135.65 150.67 49.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 112.765 -170.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -129.26 145.54 51.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.402 1.881 . . . . 0.0 111.494 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.1 t -97.57 150.79 37.16 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 127.007 2.123 . . . . 0.0 110.967 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.62 -23.33 56.6 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.388 2.725 . . . . 0.0 115.907 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.19 -12.69 60.14 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.14 1.336 . . . . 0.0 114.266 173.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.67 -14.57 35.12 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.751 2.12 . . . . 0.0 114.613 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.52 154.32 21.18 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.878 1.339 . . . . 0.0 112.334 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -129.71 157.61 41.68 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.297 1.439 . . . . 0.0 112.159 -171.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -158.18 174.42 15.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.254 1.422 . . . . 0.0 111.513 170.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.5 mt -137.5 145.13 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 127.122 2.169 . . . . 0.0 107.993 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 16.3 t -142.24 156.77 45.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.086 -1.009 . . . . 0.0 112.069 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.64 -14.06 55.37 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.484 1.114 . . . . 0.0 112.301 166.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -100.91 169.93 8.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.105 1.362 . . . . 0.0 111.469 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -67.12 -5.96 15.58 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -158.85 137.6 7.93 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 126.334 1.853 . . . . 0.0 108.875 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.45 155.27 67.4 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.332 2.688 . . . . 0.0 111.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -17.7 32.64 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 152.33 22.94 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.624 1.57 . . . . 0.0 113.243 -166.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -79.95 164.24 23.66 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.989 0.916 . . . . 0.0 111.617 173.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.25 139.26 58.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.875 1.27 . . . . 0.0 113.263 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 15.8 m -78.97 -16.86 56.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.377 1.071 . . . . 0.0 113.294 174.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.4 m -108.09 -34.98 6.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.73 1.212 . . . . 0.0 112.772 -167.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -128.34 -13.78 4.89 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.04 -5.31 78.71 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 116.477 1.351 . . . . 0.0 116.477 164.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.71 -170.19 2.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.236 1.518 . . . . 0.0 113.082 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -133.04 95.9 3.65 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.366 1.466 . . . . 0.0 110.27 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -140.94 32.17 1.78 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.191 1.796 . . . . 0.0 112.178 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -59.94 140.3 56.8 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.131 0.973 . . . . 0.0 113.209 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -131.1 136.05 48.05 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.747 1.619 . . . . 0.0 109.02 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -73.84 133.2 43.15 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.925 0.49 . . . . 0.0 110.492 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -121.62 176.32 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.478 1.511 . . . . 0.0 111.991 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -75.3 -169.6 25.82 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 125.602 1.572 . . . . 0.0 114.147 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 8.7 ttp -70.54 120.66 16.5 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.633 0.73 . . . . 0.0 111.101 -175.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . 0.412 ' CD2' ' H ' ' A' ' 832' ' ' LEU . 1.1 pt? -66.72 159.45 27.81 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 126.472 1.909 . . . . 0.0 114.138 176.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -126.2 145.09 50.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.246 1.418 . . . . 0.0 112.044 160.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.55 172.0 8.01 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.647 1.179 . . . . 0.0 111.747 165.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -66.39 145.54 55.58 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.211 1.004 . . . . 0.0 111.194 169.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 15.7 p -77.13 164.22 25.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.382 1.473 . . . . 0.0 111.889 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -150.53 -175.51 22.63 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.771 1.653 . . . . 0.0 113.301 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -79.61 -6.09 14.31 Favored 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 124.354 3.37 . . . . 0.0 113.565 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -64.01 146.01 54.87 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 122.084 0.945 . . . . 0.0 113.372 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 34.8 tp -77.02 150.15 35.82 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.519 1.528 . . . . 0.0 111.584 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -83.66 -164.49 36.81 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.219 1.39 . . . . 0.0 113.831 176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.267 0 C-N-CA 125.229 1.395 . . . . 0.0 112.772 -179.731 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -170.63 2.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.688 1.195 . . . . 0.0 111.016 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -158.3 144.02 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.597 1.159 . . . . 0.0 110.91 165.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.9 m -78.28 143.99 36.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 110.921 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.6 t -156.77 157.53 35.22 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.387 1.475 . . . . 0.0 110.428 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -75.72 135.62 40.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.546 0.688 . . . . 0.0 110.03 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.87 173.85 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 128.524 2.73 . . . . 0.0 109.766 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.2 p -149.74 136.27 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.603 0.761 . . . . 0.0 111.629 -169.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 94.4 m -105.32 118.73 37.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.517 1.127 . . . . 0.0 108.889 169.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.64 119.92 16.49 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -78.65 -17.44 55.98 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.112 0.965 . . . . 0.0 112.47 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 31.0 m -84.71 -38.61 19.51 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.881 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 63.7 m -102.96 -16.53 15.81 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 70.93 25.89 3.73 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.282 2.233 . . . . 0.0 114.236 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -102.19 155.7 18.04 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.516 1.126 . . . . 0.0 112.436 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.3 m -116.37 137.9 51.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.282 1.433 . . . . 0.0 109.452 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.87 179.4 9.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.769 1.628 . . . . 0.0 111.513 -176.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.33 -28.42 63.05 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.494 1.118 . . . . 0.0 113.211 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -152.27 160.13 31.79 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.624 1.969 . . . . 0.0 111.02 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.89 147.74 50.37 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.157 1.905 . . . . 0.0 109.249 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.11 156.01 37.25 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.368 1.08 . . . . 0.0 111.886 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.8 -35.34 70.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.36 -0.837 . . . . 0.0 111.823 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -66.63 -41.48 88.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.915 1.286 . . . . 0.0 112.256 171.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.65 -34.64 78.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.038 0.935 . . . . 0.0 112.366 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.5 t -71.76 -42.3 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 0.0 111.074 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 75.7 m -72.02 -42.41 66.39 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.263 1.025 . . . . 0.0 113.39 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -78.31 -12.56 60.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.252 1.021 . . . . 0.0 112.289 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.06 45.17 0.72 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.352 1.861 . . . . 0.0 113.287 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -60.4 155.77 17.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.327 1.451 . . . . 0.0 111.319 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -81.75 139.7 34.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.69 -0.631 . . . . 0.0 110.139 171.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.95 148.41 40.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.38 0.672 . . . . 0.0 112.812 175.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -109.56 123.39 49.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.705 1.202 . . . . 0.0 110.247 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -92.16 149.56 21.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.565 1.146 . . . . 0.0 112.582 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -167.29 173.38 8.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.544 1.938 . . . . 0.0 110.63 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -89.01 148.9 23.51 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.729 -1.232 . . . . 0.0 112.237 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.94 -176.87 25.94 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.087 1.803 . . . . 0.0 113.023 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.05 139.14 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.114 1.366 . . . . 0.0 110.004 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -115.3 151.36 34.7 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.929 1.292 . . . . 0.0 114.235 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -122.94 131.13 53.59 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.433 2.293 . . . . 0.0 109.489 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.06 138.14 40.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.696 1.199 . . . . 0.0 112.336 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -133.8 156.41 48.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.185 0.994 . . . . 0.0 113.585 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -138.64 142.68 39.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.147 1.779 . . . . 0.0 111.53 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.5 t -98.57 147.74 33.58 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.462 1.905 . . . . 0.0 110.703 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.76 -21.16 46.63 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 123.732 2.955 . . . . 0.0 116.041 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.0 p -76.92 -12.41 59.95 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 120.357 1.435 . . . . 0.0 113.972 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.87 -9.37 37.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.61 2.052 . . . . 0.0 114.627 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -62.76 152.15 36.61 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.602 1.701 . . . . 0.0 112.035 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -128.53 155.2 45.25 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.814 1.646 . . . . 0.0 112.184 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.6 t -160.0 173.19 16.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.277 1.431 . . . . 0.0 111.436 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 10.5 mt -140.66 144.84 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 127.196 2.199 . . . . 0.0 107.789 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.2 t -140.64 166.16 25.49 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.111 -0.993 . . . . 0.0 111.502 171.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 99.0 mt -88.08 -17.42 31.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.089 0.955 . . . . 0.0 111.944 166.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -92.4 165.63 12.96 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.231 1.412 . . . . 0.0 112.088 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -10.41 20.27 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.887 1.675 . . . . 0.0 115.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -165.03 136.83 3.37 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 126.325 1.85 . . . . 0.0 109.474 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.79 155.3 53.86 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.663 2.242 . . . . 0.0 110.675 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.25 -25.28 22.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -75.0 148.06 40.23 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 112.978 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -72.34 162.86 28.9 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.539 -0.726 . . . . 0.0 111.477 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.0 134.86 54.81 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 112.82 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.6 m -72.4 -16.58 61.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.312 1.045 . . . . 0.0 113.764 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 94.0 m -105.96 -40.23 5.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.877 1.271 . . . . 0.0 112.525 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.7 p -124.18 -12.58 7.38 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.75 -6.09 82.07 Favored Glycine 0 N--CA 1.474 1.219 0 N-CA-C 116.371 1.308 . . . . 0.0 116.371 164.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.29 -172.19 3.53 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.71 1.255 . . . . 0.0 113.045 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -126.38 100.49 6.29 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.353 1.461 . . . . 0.0 110.492 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -145.55 31.26 1.08 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.842 1.657 . . . . 0.0 112.963 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.58 131.31 50.55 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.696 -1.253 . . . . 0.0 112.368 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -116.52 136.73 52.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.582 1.953 . . . . 0.0 109.476 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.92 127.59 33.13 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.787 0.835 . . . . 0.0 110.379 176.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.0 166.72 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 125.725 1.61 . . . . 0.0 111.768 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.289 0 C-N-CA 124.784 1.183 . . . . 0.0 115.355 -173.427 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.35 161.15 28.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 113.197 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.37 141.11 20.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.662 0.744 . . . . 0.0 112.196 -171.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 23.6 p -76.77 143.91 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.933 1.293 . . . . 0.0 113.814 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 4.3 m -152.51 164.76 36.95 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.492 1.917 . . . . 0.0 111.176 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -76.63 142.07 40.8 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.768 -0.582 . . . . 0.0 109.836 166.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.57 158.23 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.729 2.011 . . . . 0.0 110.873 -174.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 146.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.259 1.423 . . . . 0.0 110.908 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 60.8 m -118.05 117.72 29.98 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.777 1.231 . . . . 0.0 108.847 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.7 t -74.08 118.11 16.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 167.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -77.48 -23.3 50.39 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.433 1.093 . . . . 0.0 111.762 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 33.2 m -75.84 -47.72 24.45 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.992 1.317 . . . . 0.0 110.893 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 83.9 m -93.72 -17.54 23.08 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.8 23.44 3.63 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.389 2.276 . . . . 0.0 114.713 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -97.87 157.3 16.16 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.167 -0.958 . . . . 0.0 113.151 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 23.5 m -115.86 139.01 50.62 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.208 1.803 . . . . 0.0 109.068 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.08 173.43 16.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.547 1.139 . . . . 0.0 112.625 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -67.71 -28.91 68.07 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.156 0.982 . . . . 0.0 112.969 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -164.99 154.52 11.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.656 1.982 . . . . 0.0 112.07 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.16 154.23 25.12 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.11 2.54 . . . . 0.0 111.037 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -72.89 154.7 40.47 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.129 0.966 . . . . 0.0 112.923 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -59.57 -36.41 76.16 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.142 0.977 . . . . 0.0 111.189 171.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.8 p -68.68 -37.69 79.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.519 1.128 . . . . 0.0 112.679 173.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 63.1 m -66.52 -41.94 88.05 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.919 0.781 . . . . 0.0 111.559 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.66 -43.94 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.056 0.943 . . . . 0.0 111.473 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 21.9 t -70.7 -37.77 73.62 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.28 -1.71 46.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.576 1.15 . . . . 0.0 113.175 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 66.05 37.64 5.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.416 1.886 . . . . 0.0 113.129 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.07 150.62 33.28 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.409 1.084 . . . . 0.0 110.721 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -85.27 137.3 33.07 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.507 0.723 . . . . 0.0 110.424 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 159.91 42.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.119 0.962 . . . . 0.0 113.207 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -131.02 133.63 45.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.472 1.109 . . . . 0.0 111.05 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -93.61 154.35 17.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.415 1.086 . . . . 0.0 112.057 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -164.15 178.96 7.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.937 2.095 . . . . 0.0 110.353 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -92.9 146.35 23.7 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.058 -1.026 . . . . 0.0 111.88 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -150.59 -159.91 9.05 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.705 2.098 . . . . 0.0 112.168 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -151.46 133.27 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.634 1.173 . . . . 0.0 111.056 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -108.18 148.51 29.81 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -138.89 140.51 38.42 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.379 1.871 . . . . 0.0 108.904 -167.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -104.98 136.83 43.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 111.999 -167.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -134.58 155.04 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.888 0.875 . . . . 0.0 113.268 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -136.2 142.86 44.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.94 1.696 . . . . 0.0 111.592 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 39.0 t -101.08 146.66 32.54 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 126.521 1.929 . . . . 0.0 110.199 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -17.28 52.91 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.702 2.934 . . . . 0.0 115.867 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.7 p -75.48 -13.23 60.36 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 120.086 1.312 . . . . 0.0 113.976 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.61 36.91 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 126.676 2.084 . . . . 0.0 114.574 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -65.36 151.13 47.02 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.804 1.302 . . . . 0.0 111.887 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -128.35 156.16 43.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.991 1.716 . . . . 0.0 111.551 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 t -160.03 171.62 19.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.056 1.342 . . . . 0.0 111.34 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -139.79 141.52 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.895 2.078 . . . . 0.0 107.872 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 13.5 t -152.2 165.65 34.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.908 0.861 . . . . 0.0 112.43 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.76 -25.02 21.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.58 1.952 . . . . 0.0 111.585 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.49 160.57 23.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.195 1.398 . . . . 0.0 111.923 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -60.09 -18.75 49.27 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.104 1.362 . . . . 0.0 114.196 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 18.4 tp -154.85 137.52 10.18 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 127.853 2.461 . . . . 0.0 108.106 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.13 151.86 61.63 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.555 2.17 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.64 -25.88 24.65 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.89 152.54 24.48 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 113.779 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -78.99 163.52 25.14 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.647 0.779 . . . . 0.0 111.238 170.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.23 143.24 57.97 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.712 1.205 . . . . 0.0 113.048 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.8 m -87.07 -13.66 43.65 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.046 0.939 . . . . 0.0 113.051 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.1 m -100.48 -39.45 7.94 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.936 1.294 . . . . 0.0 111.956 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.2 p -125.83 -15.28 5.98 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.6 -7.17 74.58 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 125.134 1.349 . . . . 0.0 116.092 166.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.53 -170.8 2.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.11 1.455 . . . . 0.0 113.336 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -132.48 91.58 2.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.608 1.563 . . . . 0.0 110.642 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.33 30.18 1.97 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.134 1.374 . . . . 0.0 112.734 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -56.56 135.82 54.56 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.498 1.119 . . . . 0.0 112.062 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.04 132.54 54.16 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.506 1.922 . . . . 0.0 108.96 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.63 125.9 29.67 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 22.2 m -116.4 168.98 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.245 1.418 . . . . 0.0 111.72 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 C-N-CA 124.37 0.986 . . . . 0.0 113.188 -178.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -175.28 154.5 1.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 130.432 3.493 . . . . 0.0 109.676 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.66 139.44 22.87 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.447 0.699 . . . . 0.0 112.5 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.5 m -72.76 141.33 48.11 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.844 0.858 . . . . 0.0 112.383 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.1 m -145.17 170.57 15.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.205 1.802 . . . . 0.0 111.218 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -88.24 142.78 27.48 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 160.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.1 m -139.87 167.56 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 127.007 2.123 . . . . 0.0 110.96 -170.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.6 p -137.0 141.88 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.904 1.281 . . . . 0.0 111.134 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -110.64 117.17 32.77 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.996 1.318 . . . . 0.0 108.47 167.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.1 t -71.89 120.8 18.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 166.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.99 -20.63 45.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.895 0.878 . . . . 0.0 112.522 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 30.4 m -76.55 -43.56 38.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.181 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -100.91 -17.48 16.8 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 74.69 18.87 2.67 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.046 2.538 . . . . 0.0 113.979 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -95.33 157.58 15.83 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.791 -1.193 . . . . 0.0 113.188 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 18.8 m -117.38 134.53 54.72 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.78 1.632 . . . . 0.0 109.929 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -157.57 175.23 14.21 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.643 1.577 . . . . 0.0 111.506 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -38.57 71.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.062 -1.024 . . . . 0.0 112.049 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.4 151.35 78.62 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 126.315 1.846 . . . . 0.0 111.49 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.61 149.46 26.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.126 2.55 . . . . 0.0 109.872 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -67.71 158.95 31.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 122.432 1.11 . . . . 0.0 113.327 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -36.51 78.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.54 1.136 . . . . 0.0 111.913 175.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 20.1 p -65.3 -43.04 92.34 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.957 1.303 . . . . 0.0 111.483 172.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -67.96 -40.21 83.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.343 1.057 . . . . 0.0 112.076 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.19 -41.05 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 111.221 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.8 t -70.95 -43.23 68.57 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -78.02 -7.83 57.39 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.628 1.171 . . . . 0.0 112.771 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 58.5 51.99 7.5 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.036 1.734 . . . . 0.0 112.573 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -60.41 155.5 18.01 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.299 1.04 . . . . 0.0 111.068 168.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -83.36 133.93 34.92 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.222 0.609 . . . . 0.0 110.004 172.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.61 44.67 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.799 0.84 . . . . 0.0 112.042 176.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -110.66 129.03 55.92 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.611 1.164 . . . . 0.0 110.216 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -95.11 151.86 18.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.597 1.159 . . . . 0.0 112.211 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -166.52 179.97 5.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.453 1.901 . . . . 0.0 110.948 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -95.99 155.77 16.61 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.989 -1.069 . . . . 0.0 113.05 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.98 -165.36 17.59 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.991 1.758 . . . . 0.0 112.895 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -150.17 133.74 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.323 1.449 . . . . 0.0 111.017 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -100.01 140.99 33.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.235 . . . . 0.0 113.739 -170.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -114.71 146.26 41.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.757 2.823 . . . . 0.0 109.486 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -111.21 130.66 55.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 112.271 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -129.88 149.13 51.75 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.551 1.141 . . . . 0.0 113.795 -174.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -131.6 146.2 52.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.529 1.532 . . . . 0.0 112.024 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 45.2 t -98.28 149.9 36.19 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 127.365 2.266 . . . . 0.0 110.667 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.83 -23.44 50.59 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.181 2.587 . . . . 0.0 115.811 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.6 p -76.53 -13.96 60.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.99 -10.94 31.92 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.895 1.712 . . . . 0.0 114.712 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -68.94 148.25 50.45 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.689 1.245 . . . . 0.0 111.651 174.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -135.58 157.04 47.86 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.981 1.312 . . . . 0.0 112.584 -172.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -155.11 170.65 21.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.014 1.325 . . . . 0.0 111.992 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.9 mt -139.72 140.27 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.294 1.838 . . . . 0.0 108.351 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.0 t -156.82 176.78 12.29 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.263 1.425 . . . . 0.0 110.592 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.23 -25.1 14.99 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.611 1.165 . . . . 0.0 111.988 -172.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.41 166.58 12.8 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.07 1.0 3.89 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -178.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 13.2 tp -158.39 137.82 8.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.179 1.791 . . . . 0.0 109.137 166.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -71.47 162.11 43.35 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.383 2.722 . . . . 0.0 111.505 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -12.14 35.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -173.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.38 152.28 25.54 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.389 1.476 . . . . 0.0 113.864 -169.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.03 163.56 26.56 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 111.965 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 45.5 t -60.87 135.96 57.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.919 1.287 . . . . 0.0 112.88 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.9 m -77.09 -17.4 58.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.322 1.049 . . . . 0.0 113.166 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 90.3 m -103.6 -33.63 8.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.536 1.134 . . . . 0.0 112.449 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.81 -13.13 3.29 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.78 -7.62 73.91 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 116.485 1.354 . . . . 0.0 116.485 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -173.36 4.1 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.004 1.402 . . . . 0.0 113.241 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.78 85.34 2.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.833 1.653 . . . . 0.0 110.241 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.89 33.77 3.16 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.557 1.543 . . . . 0.0 112.512 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -59.12 138.71 57.45 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.965 1.306 . . . . 0.0 113.101 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -127.82 136.94 52.13 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.98 1.712 . . . . 0.0 110.32 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -65.49 121.85 15.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.984 0.913 . . . . 0.0 110.318 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.9 171.41 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.868 1.667 . . . . 0.0 111.104 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 C-N-CA 123.558 0.599 . . . . 0.0 113.929 -177.658 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.39 157.83 28.49 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.848 2.459 . . . . 0.0 111.048 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.73 140.1 23.33 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.533 0.733 . . . . 0.0 112.631 -168.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 20.9 m -74.29 149.69 40.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.124 0.97 . . . . 0.0 113.132 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.4 t -159.58 165.47 32.77 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.194 1.398 . . . . 0.0 111.512 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -77.01 141.91 40.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.501 -0.749 . . . . 0.0 110.362 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.98 162.69 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.446 1.898 . . . . 0.0 110.582 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.0 p -125.37 139.38 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 125.534 1.534 . . . . 0.0 110.187 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.9 m -107.17 115.43 30.17 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.118 0.967 . . . . 0.0 108.729 163.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.46 118.31 17.27 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -79.31 -23.14 43.72 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 112.171 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.6 m -75.18 -42.14 56.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.767 1.227 . . . . 0.0 111.579 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.22 -16.88 19.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.917 1.287 . . . . 0.0 113.971 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.9 mptt 67.06 57.53 0.61 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.248 2.219 . . . . 0.0 112.966 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.34 158.38 43.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.549 1.139 . . . . 0.0 112.84 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.0 m -113.5 131.81 55.92 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.81 1.644 . . . . 0.0 110.303 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -154.91 177.56 11.16 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.908 1.683 . . . . 0.0 112.246 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.98 -34.53 77.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.84 1.256 . . . . 0.0 113.255 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -159.69 155.54 22.98 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.137 1.775 . . . . 0.0 112.399 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.49 157.34 32.59 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.591 2.194 . . . . 0.0 110.657 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -73.28 158.94 34.18 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.819 0.819 . . . . 0.0 112.074 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.87 -35.55 76.88 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.677 -0.639 . . . . 0.0 111.62 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 16.7 p -65.43 -41.89 93.05 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.684 1.193 . . . . 0.0 112.122 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.6 -41.53 96.16 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 112.128 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.02 -42.3 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.325 0.65 . . . . 0.0 111.601 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 26.0 t -71.01 -43.79 67.21 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -77.97 -9.9 59.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.21 1.004 . . . . 0.0 112.818 172.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 69.19 48.5 0.66 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.37 1.868 . . . . 0.0 112.689 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.25 155.48 11.43 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.051 1.34 . . . . 0.0 110.966 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.21 137.85 33.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.684 0.794 . . . . 0.0 110.072 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.86 152.64 40.59 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -113.08 126.05 55.04 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 109.287 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -91.46 145.96 24.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.328 1.051 . . . . 0.0 111.414 171.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -165.15 -179.73 5.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 111.47 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -96.04 151.59 19.31 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.16 -0.962 . . . . 0.0 111.863 173.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.58 -163.45 11.82 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 126.612 2.053 . . . . 0.0 112.051 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.78 131.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.235 1.414 . . . . 0.0 110.59 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -100.75 146.72 26.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 42.1 mtt85 -138.45 136.56 36.33 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 127.397 2.279 . . . . 0.0 109.282 -163.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.04 131.55 53.96 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.162 0.985 . . . . 0.0 111.564 -164.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -128.9 155.45 45.26 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 113.08 -174.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -134.98 142.25 46.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.81 2.044 . . . . 0.0 111.602 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.45 148.19 34.22 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.402 1.881 . . . . 0.0 110.362 171.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -58.2 -18.42 37.04 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.308 2.672 . . . . 0.0 116.237 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.3 p -77.67 -10.63 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 120.193 1.36 . . . . 0.0 114.261 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.09 -4.57 45.19 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 126.722 2.106 . . . . 0.0 114.79 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -68.61 155.64 39.63 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.797 1.299 . . . . 0.0 111.853 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -128.81 155.68 44.79 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.855 1.662 . . . . 0.0 112.465 -171.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -158.96 172.23 18.59 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.834 1.653 . . . . 0.0 111.416 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.2 mt -138.21 141.28 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.046 1.738 . . . . 0.0 108.447 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 33.3 t -145.62 164.66 31.02 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.161 0.984 . . . . 0.0 111.559 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.72 -10.06 32.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.182 1.793 . . . . 0.0 111.498 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -109.1 174.15 6.0 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.816 2.046 . . . . 0.0 111.271 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -62.71 -10.95 14.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.664 1.586 . . . . 0.0 114.972 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.2 tp -158.29 142.5 11.47 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.242 1.817 . . . . 0.0 109.708 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.6 156.75 57.26 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.428 2.752 . . . . 0.0 111.256 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -16.14 30.44 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -174.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 151.53 22.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 113.892 -162.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -76.99 155.14 32.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.855 0.862 . . . . 0.0 111.27 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.22 141.37 58.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.863 1.265 . . . . 0.0 112.809 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 7.9 t -82.77 -20.42 35.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.229 1.012 . . . . 0.0 112.895 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -97.21 -37.77 9.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.061 1.344 . . . . 0.0 112.428 -171.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.1 p -129.83 -13.0 4.21 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.851 1.796 . . . . 0.0 115.851 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.12 -11.55 69.18 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.759 1.171 . . . . 0.0 116.007 164.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.35 -168.2 2.13 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.083 1.441 . . . . 0.0 113.622 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -136.8 95.2 3.09 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.94 1.696 . . . . 0.0 110.49 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -143.13 31.57 1.38 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.641 1.576 . . . . 0.0 112.367 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -60.14 142.72 53.83 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.419 1.088 . . . . 0.0 113.325 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -130.15 135.93 48.72 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 126.759 2.024 . . . . 0.0 110.077 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.07 130.35 43.05 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.568 0.747 . . . . 0.0 110.366 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.77 175.05 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.442 1.497 . . . . 0.0 110.459 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.19 0 CA-C-O 122.603 1.113 . . . . 0.0 114.839 -173.529 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -158.96 153.5 24.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.058 2.543 . . . . 0.0 110.29 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.51 146.89 31.62 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.523 0.729 . . . . 0.0 111.748 -164.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.2 m -74.39 149.83 40.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.069 0.947 . . . . 0.0 113.095 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.05 170.91 21.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.849 1.26 . . . . 0.0 112.481 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -84.78 141.32 30.59 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 0.0 109.387 164.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.58 167.8 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.39 1.876 . . . . 0.0 110.984 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.8 p -144.52 129.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.609 1.164 . . . . 0.0 111.542 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 55.1 m -96.98 116.23 28.82 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.649 1.179 . . . . 0.0 108.748 168.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.7 117.04 16.09 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.17 -23.6 60.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.923 1.289 . . . . 0.0 111.932 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.8 m -79.05 -42.12 27.18 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.053 1.341 . . . . 0.0 111.781 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.5 -16.67 16.73 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.703 1.201 . . . . 0.0 113.833 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 68.6 49.38 0.74 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.856 2.062 . . . . 0.0 113.033 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -135.32 162.23 33.18 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.459 1.503 . . . . 0.0 112.302 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.4 m -116.41 124.43 50.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.642 1.177 . . . . 0.0 110.727 173.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -126.68 177.52 6.49 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.766 2.027 . . . . 0.0 110.602 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.23 -37.6 72.01 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.396 1.078 . . . . 0.0 111.53 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -142.73 154.11 62.25 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.008 2.123 . . . . 0.0 111.215 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.24 152.38 35.06 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.679 2.252 . . . . 0.0 109.779 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -76.93 159.99 29.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.482 1.134 . . . . 0.0 111.968 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.45 -37.95 79.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.813 0.845 . . . . 0.0 111.563 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.5 p -67.4 -40.94 85.63 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.855 1.262 . . . . 0.0 111.63 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.44 -42.69 95.84 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.233 0.924 . . . . 0.0 111.581 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.11 -43.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.77 0.828 . . . . 0.0 111.113 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.3 t -67.67 -39.54 84.48 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -80.42 -5.75 56.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.062 1.345 . . . . 0.0 112.961 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 65.31 42.41 3.93 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.244 1.818 . . . . 0.0 112.648 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -60.13 150.65 29.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.218 1.007 . . . . 0.0 110.381 171.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -87.05 142.31 28.02 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 110.74 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.46 152.78 44.53 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.309 0.644 . . . . 0.0 112.596 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -110.77 124.82 52.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 109.202 166.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -90.67 148.25 22.74 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.207 1.003 . . . . 0.0 111.873 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -166.46 -170.97 1.78 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.973 2.109 . . . . 0.0 110.622 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -109.72 154.04 23.46 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.696 -1.253 . . . . 0.0 112.887 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.05 -169.51 21.73 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.957 1.741 . . . . 0.0 113.294 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 68.8 t -132.62 132.01 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.219 1.408 . . . . 0.0 110.134 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -102.48 150.69 23.13 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.746 1.218 . . . . 0.0 113.903 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -142.59 139.26 31.27 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.865 2.066 . . . . 0.0 110.382 -160.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -112.32 132.32 55.04 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.329 1.052 . . . . 0.0 112.102 -162.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -132.0 152.96 50.83 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.139 0.975 . . . . 0.0 113.489 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.59 145.46 44.95 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.085 1.754 . . . . 0.0 112.233 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 47.3 t -104.58 148.92 36.82 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 127.299 2.24 . . . . 0.0 110.192 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.11 -19.58 49.83 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.671 2.914 . . . . 0.0 116.115 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.02 -12.44 60.33 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 120.178 1.354 . . . . 0.0 113.95 172.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.24 -7.38 47.5 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.471 1.986 . . . . 0.0 114.602 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -70.77 149.89 46.42 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.184 1.492 . . . . 0.0 112.186 174.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -134.44 160.94 36.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.919 1.287 . . . . 0.0 112.648 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -155.97 174.31 15.52 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.532 1.533 . . . . 0.0 111.597 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.1 mt -134.36 142.54 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.398 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.4 t -140.14 166.88 23.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.629 1.172 . . . . 0.0 111.387 173.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.5 mt -88.07 -18.3 29.22 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.186 0.994 . . . . 0.0 111.865 167.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.05 166.13 14.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.227 1.411 . . . . 0.0 112.455 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -65.52 -10.69 36.94 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.6 tp -164.73 137.94 3.88 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 127.694 2.398 . . . . 0.0 108.824 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.22 156.44 51.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 123.063 2.509 . . . . 0.0 110.547 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -87.68 -27.0 22.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -80.72 153.15 28.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.822 1.249 . . . . 0.0 113.057 -165.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -74.94 162.38 28.66 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.482 -0.761 . . . . 0.0 111.929 167.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.97 135.49 55.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.019 1.328 . . . . 0.0 112.727 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 29.3 m -74.89 -13.83 60.59 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.338 1.055 . . . . 0.0 113.378 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -103.49 -42.2 5.76 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.381 1.072 . . . . 0.0 112.251 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.8 p -123.29 -14.39 7.46 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.78 -5.62 79.56 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.439 1.335 . . . . 0.0 116.439 166.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -173.33 3.75 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.28 1.54 . . . . 0.0 112.653 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -125.42 103.03 7.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.962 1.305 . . . . 0.0 110.137 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -146.46 31.22 0.99 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.147 1.779 . . . . 0.0 112.603 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -60.51 139.46 57.74 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.314 -0.866 . . . . 0.0 112.661 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -130.53 135.86 48.35 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.25 1.82 . . . . 0.0 109.922 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.03 128.36 35.43 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.033 0.533 . . . . 0.0 110.409 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -122.04 172.09 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.306 1.442 . . . . 0.0 110.837 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 C-N-CA 124.686 1.136 . . . . 0.0 114.156 -176.354 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -74.55 140.33 44.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.103 1.361 . . . . 0.0 110.84 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.77 131.32 8.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.76 0.824 . . . . 0.0 109.634 -162.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.7 p -78.2 142.53 37.87 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.834 0.826 . . . . 0.0 112.283 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.8 t -158.5 157.17 31.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.004 1.322 . . . . 0.0 110.438 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -72.96 130.09 39.58 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.902 -0.499 . . . . 0.0 110.093 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.87 158.79 19.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 127.722 2.409 . . . . 0.0 110.296 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.1 p -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.785 1.634 . . . . 0.0 110.845 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 91.4 m -126.46 111.46 14.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 109.36 168.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 30.2 t -75.29 118.06 17.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.762 0.825 . . . . 0.0 109.855 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -83.8 -14.97 50.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.358 1.463 . . . . 0.0 112.501 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.3 m -81.42 -43.45 18.91 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.818 1.247 . . . . 0.0 111.242 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -97.55 -24.17 15.68 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 72.07 65.79 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.456 2.302 . . . . 0.0 112.317 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -146.72 157.05 43.6 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.243 1.017 . . . . 0.0 113.277 170.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.7 m -113.17 137.47 51.41 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.093 1.757 . . . . 0.0 109.044 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.71 172.16 19.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.383 1.073 . . . . 0.0 111.239 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.96 89.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.746 0.818 . . . . 0.0 111.542 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -150.63 151.49 30.69 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.913 2.085 . . . . 0.0 110.103 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -76.67 161.41 33.86 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.423 2.749 . . . . 0.0 110.97 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -69.64 156.48 38.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.775 0.798 . . . . 0.0 112.076 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.57 -37.08 82.56 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.462 -0.774 . . . . 0.0 111.614 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 15.3 p -61.9 -43.43 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.582 1.153 . . . . 0.0 112.195 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 60.8 m -62.8 -39.68 95.01 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.74 0.816 . . . . 0.0 112.224 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 92.3 t -69.66 -45.73 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.827 0.851 . . . . 0.0 111.11 176.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -36.38 75.52 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.43 1.014 . . . . 0.0 113.244 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -79.66 -7.27 58.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.815 0.846 . . . . 0.0 112.611 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 55.99 52.94 9.79 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.174 1.79 . . . . 0.0 112.174 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -60.77 157.3 15.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.237 1.015 . . . . 0.0 111.329 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -81.34 130.91 35.23 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.263 0.625 . . . . 0.0 110.122 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.65 151.02 35.47 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -108.93 142.66 39.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.61 1.164 . . . . 0.0 110.09 168.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -115.63 146.4 41.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.021 1.328 . . . . 0.0 111.66 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -164.07 171.28 15.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.349 1.459 . . . . 0.0 111.232 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -81.52 141.12 34.1 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.217 -0.927 . . . . 0.0 111.616 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -142.21 -169.28 12.07 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 127.005 2.241 . . . . 0.0 111.757 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -148.33 138.91 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.513 1.525 . . . . 0.0 110.5 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -107.14 150.53 26.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.074 1.35 . . . . 0.0 114.568 -166.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -120.22 145.93 46.53 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.213 2.605 . . . . 0.0 110.168 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -119.84 136.39 54.5 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.474 1.109 . . . . 0.0 112.298 -168.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -136.89 157.95 45.58 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.235 1.014 . . . . 0.0 113.213 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -138.89 146.24 40.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.538 . . . . 0.0 111.744 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.37 148.82 35.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.855 2.062 . . . . 0.0 110.697 175.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.12 -21.18 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 124.052 3.168 . . . . 0.0 116.113 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.98 -11.34 59.94 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 120.442 1.474 . . . . 0.0 114.093 172.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.7 -9.43 40.8 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.449 1.975 . . . . 0.0 114.481 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.47 157.05 30.55 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 1.399 . . . . 0.0 112.271 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -125.69 158.66 34.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.892 1.677 . . . . 0.0 112.03 -174.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.2 t -156.61 169.75 23.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.376 1.47 . . . . 0.0 111.136 170.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.2 mt -143.98 143.14 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 126.529 1.931 . . . . 0.0 108.288 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -154.97 169.42 24.11 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.884 0.849 . . . . 0.0 112.523 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -97.69 -10.21 25.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.87 1.668 . . . . 0.0 111.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -97.42 169.66 9.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.019 1.728 . . . . 0.0 111.405 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -12.22 58.01 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 17.3 tp -155.85 138.62 10.53 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 126.895 2.078 . . . . 0.0 108.622 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.66 152.22 64.49 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.097 2.531 . . . . 0.0 111.66 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -22.36 28.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -171.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.24 160.51 17.56 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.84 163.5 26.71 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.693 1.197 . . . . 0.0 112.429 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.63 133.89 56.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.383 1.073 . . . . 0.0 112.135 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.7 p -81.31 -8.84 59.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.92 1.288 . . . . 0.0 113.595 175.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.4 m -105.43 -41.39 5.52 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.935 1.294 . . . . 0.0 112.149 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -126.5 -12.95 6.09 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.66 -8.68 74.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.014 1.292 . . . . 0.0 116.131 164.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.41 -170.23 2.94 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.071 1.436 . . . . 0.0 113.259 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -132.81 101.56 5.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.525 1.53 . . . . 0.0 109.995 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -145.49 30.93 1.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.979 1.711 . . . . 0.0 112.13 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -62.71 137.99 58.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.27 1.028 . . . . 0.0 113.27 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -124.64 139.79 53.54 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.107 1.763 . . . . 0.0 109.312 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -65.32 130.87 44.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.428 1.091 . . . . 0.0 110.31 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -141.98 -173.17 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.147 1.379 . . . . 0.0 111.002 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.987 0 C-N-CA 124.567 1.08 . . . . 0.0 114.321 173.703 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.52 160.0 17.68 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.465 1.506 . . . . 0.0 112.329 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -148.69 143.92 26.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.666 0.746 . . . . 0.0 112.834 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.4 m -76.8 153.31 35.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.956 0.902 . . . . 0.0 113.189 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.0 p -160.43 174.7 13.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.464 1.506 . . . . 0.0 112.411 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -88.88 137.51 32.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.65 0.78 . . . . 0.0 109.124 165.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.28 165.53 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.563 1.945 . . . . 0.0 110.112 -172.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.7 135.55 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.066 0.946 . . . . 0.0 111.95 -172.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 50.6 m -104.84 119.93 40.19 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.484 1.113 . . . . 0.0 108.333 167.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.34 116.26 13.68 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 164.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -76.03 -21.96 56.26 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.081 0.952 . . . . 0.0 112.332 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -71.0 -47.93 56.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.989 1.315 . . . . 0.0 110.946 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.39 -20.63 18.95 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? 74.35 17.17 3.24 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 128.511 2.724 . . . . 0.0 115.116 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -94.33 158.15 15.71 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 120.67 -1.269 . . . . 0.0 112.224 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.3 m -125.5 137.73 53.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.032 1.333 . . . . 0.0 110.474 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.56 -172.47 2.92 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.769 1.628 . . . . 0.0 111.504 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.11 -27.11 62.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.887 1.275 . . . . 0.0 113.444 -172.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -159.14 154.59 22.39 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.469 1.908 . . . . 0.0 112.065 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.48 147.61 41.34 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.735 2.29 . . . . 0.0 110.664 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.5 159.65 33.59 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.39 -35.77 74.55 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.473 -0.767 . . . . 0.0 112.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 8.8 p -67.23 -41.56 85.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.272 1.029 . . . . 0.0 112.038 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.4 -38.47 84.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.337 1.055 . . . . 0.0 111.65 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.3 t -70.04 -43.4 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.022 0.929 . . . . 0.0 111.279 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.8 t -68.98 -41.61 77.64 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.144 0.884 . . . . 0.0 113.267 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -80.62 -9.99 59.76 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.888 0.875 . . . . 0.0 113.052 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.92 52.88 5.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.211 1.804 . . . . 0.0 112.417 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -60.34 157.16 14.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.189 0.996 . . . . 0.0 110.51 169.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -89.11 120.44 30.51 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.215 0.606 . . . . 0.0 109.951 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.18 147.09 46.07 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.132 0.973 . . . . 0.0 112.063 177.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -110.13 124.96 52.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.821 1.248 . . . . 0.0 110.213 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -89.35 149.96 22.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.25 1.02 . . . . 0.0 112.268 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -161.97 -177.55 5.87 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.797 2.039 . . . . 0.0 110.826 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -94.72 148.09 22.65 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.802 -1.186 . . . . 0.0 112.867 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -154.85 -170.04 20.12 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 126.181 1.848 . . . . 0.0 112.835 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.0 t -137.32 136.81 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.33 1.452 . . . . 0.0 109.923 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -107.11 145.07 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.18 1.392 . . . . 0.0 113.01 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.32 150.59 49.52 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.867 . . . . 0.0 110.052 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -113.23 141.85 46.49 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.405 1.482 . . . . 0.0 112.09 -168.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.96 149.49 47.59 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.265 1.026 . . . . 0.0 113.271 -170.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -123.46 144.22 49.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.989 2.116 . . . . 0.0 111.937 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 35.1 t -97.58 152.34 38.12 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.634 1.974 . . . . 0.0 111.082 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -56.75 -24.93 57.97 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.083 2.522 . . . . 0.0 115.482 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.78 -11.33 60.13 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.36 -11.68 51.15 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 126.383 1.944 . . . . 0.0 114.579 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -61.89 156.23 21.35 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.507 1.154 . . . . 0.0 112.579 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -131.08 152.73 50.07 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.101 1.36 . . . . 0.0 111.534 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -158.08 177.44 11.31 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.615 1.166 . . . . 0.0 112.336 173.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.5 142.96 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 126.531 1.932 . . . . 0.0 109.325 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.0 t -140.15 161.22 38.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.755 0.822 . . . . 0.0 111.039 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 78.7 mt -85.99 -17.26 35.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.804 0.842 . . . . 0.0 112.195 165.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -95.46 170.84 9.08 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.383 0.992 . . . . 0.0 111.4 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -63.43 -9.85 14.48 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.3 tp -160.08 149.77 14.55 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.555 1.942 . . . . 0.0 109.363 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.28 176.93 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 124.695 3.597 . . . . 0.0 113.562 169.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 8.79 1.0 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.87 1.668 . . . . 0.0 113.192 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -100.08 -18.65 16.88 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -158.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 66.6 m80 71.6 152.47 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.237 2.615 . . . . 0.0 113.241 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.0 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.252 1.421 . . . . 0.0 112.634 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 42.0 p -85.55 -10.5 55.86 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.053 1.341 . . . . 0.0 113.917 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 53.2 m -104.66 -42.17 5.48 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.741 1.216 . . . . 0.0 112.487 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -123.48 -12.26 7.76 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.98 -10.16 75.05 Favored Glycine 0 N--CA 1.479 1.521 0 C-N-CA 125.595 1.569 . . . . 0.0 115.935 164.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 -169.02 2.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.934 1.367 . . . . 0.0 113.049 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -131.08 106.52 8.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.989 1.316 . . . . 0.0 110.464 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -146.8 29.16 1.01 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.145 1.778 . . . . 0.0 112.212 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -60.89 145.66 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.729 -1.232 . . . . 0.0 114.133 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -132.4 140.67 48.56 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.0 2.12 . . . . 0.0 109.007 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -70.74 136.61 49.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.835 -0.54 . . . . 0.0 111.006 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.96 176.56 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.393 1.477 . . . . 0.0 111.847 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.152 0 C-N-CA 125.013 1.292 . . . . 0.0 115.816 -174.028 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 . . . . . 0 CA--C 1.55 0.959 0 N-CA-C 116.088 1.885 . . . . 0.0 116.088 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -139.84 155.31 47.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.884 2.074 . . . . 0.0 109.766 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -139.29 141.05 37.77 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.283 0.633 . . . . 0.0 112.191 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.1 p -71.74 150.24 44.64 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.178 0.99 . . . . 0.0 112.813 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 33.8 t -157.9 162.35 38.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.362 1.465 . . . . 0.0 110.274 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -84.58 143.15 29.47 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.506 0.722 . . . . 0.0 110.291 168.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 11.8 m -142.77 164.35 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.389 1.876 . . . . 0.0 110.94 -171.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.67 139.03 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 125.881 1.672 . . . . 0.0 110.826 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 63.3 m -109.74 115.59 30.13 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.972 1.309 . . . . 0.0 108.254 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.4 117.05 14.69 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 168.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.42 -21.21 59.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.613 1.165 . . . . 0.0 112.007 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 27.4 m -80.93 -42.55 21.17 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.669 1.188 . . . . 0.0 111.478 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 82.6 m -99.11 -18.64 17.61 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 70.24 34.53 2.32 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.464 2.305 . . . . 0.0 113.75 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.33 158.86 18.55 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.792 1.237 . . . . 0.0 112.219 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 22.1 m -122.11 132.55 54.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.622 1.569 . . . . 0.0 109.694 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -159.51 -178.35 7.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.221 1.408 . . . . 0.0 111.533 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' A' ' 796' ' ' LYS . 1.4 m-85 -70.52 -26.96 63.82 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.916 1.286 . . . . 0.0 113.328 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -158.47 155.67 25.89 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.913 1.685 . . . . 0.0 112.279 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -81.33 160.19 20.02 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.307 2.672 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -75.43 157.9 33.45 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.746 0.784 . . . . 0.0 112.777 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.47 -33.91 74.55 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.719 -0.613 . . . . 0.0 111.457 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 17.7 p -66.25 -41.88 89.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.551 1.14 . . . . 0.0 112.024 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.2 m -63.96 -40.2 95.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.475 0.71 . . . . 0.0 111.554 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.81 -43.29 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.637 0.775 . . . . 0.0 111.555 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 74.4 m -72.25 -38.0 68.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.466 1.107 . . . . 0.0 113.784 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -81.62 -3.91 54.68 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.534 1.134 . . . . 0.0 112.543 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 58.18 49.75 10.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.063 1.745 . . . . 0.0 112.119 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -60.48 151.69 27.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.092 0.957 . . . . 0.0 110.276 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -83.77 138.82 33.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.111 0.564 . . . . 0.0 109.975 172.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.02 37.77 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -108.71 123.97 49.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.717 1.207 . . . . 0.0 109.847 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.32 147.27 23.05 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.014 0.926 . . . . 0.0 112.277 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -163.08 -178.58 6.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -100.07 150.78 22.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.153 -0.967 . . . . 0.0 112.341 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.67 -157.1 7.84 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 126.659 2.076 . . . . 0.0 112.347 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.91 137.56 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.359 1.464 . . . . 0.0 110.902 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 796' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 776' ' ' PHE . 11.6 ptmt -111.9 143.3 43.1 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.884 1.273 . . . . 0.0 113.967 -170.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.85 153.69 32.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.338 2.255 . . . . 0.0 110.03 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.78 142.83 43.65 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.421 1.489 . . . . 0.0 110.817 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -137.64 150.57 47.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.794 0.806 . . . . 0.0 113.024 -172.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -130.94 141.84 50.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.219 1.808 . . . . 0.0 111.619 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.74 149.44 35.72 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.21 1.804 . . . . 0.0 110.22 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.41 -21.69 46.42 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.473 2.782 . . . . 0.0 116.053 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -76.02 -10.92 59.81 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.374 1.443 . . . . 0.0 113.817 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.62 -13.9 42.44 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.643 2.068 . . . . 0.0 114.502 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -62.94 158.6 18.8 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.112 1.456 . . . . 0.0 113.007 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -131.51 162.37 30.41 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.224 1.41 . . . . 0.0 112.548 -170.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -161.71 174.64 12.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.951 1.7 . . . . 0.0 110.983 169.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.4 mt -142.29 141.55 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.903 2.081 . . . . 0.0 108.513 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 20.6 t -155.3 168.0 28.5 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.863 0.865 . . . . 0.0 111.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -95.5 -23.73 16.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.241 1.816 . . . . 0.0 110.991 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -85.86 169.81 12.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.037 1.335 . . . . 0.0 111.715 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -61.2 -15.84 38.61 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.53 131.83 3.92 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 127.123 2.169 . . . . 0.0 108.806 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.78 150.92 83.31 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.895 3.063 . . . . 0.0 112.181 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -15.8 45.05 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 168.91 13.63 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -167.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -71.1 162.28 29.69 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.411 1.484 . . . . 0.0 114.604 -175.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.18 131.24 48.81 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.447 1.099 . . . . 0.0 111.878 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 9.9 m -72.32 -13.63 61.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.521 1.128 . . . . 0.0 113.626 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.54 -40.8 5.23 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.005 1.322 . . . . 0.0 112.277 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.86 -13.28 6.94 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.54 -5.2 80.21 Favored Glycine 0 N--CA 1.474 1.229 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 165.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 -169.31 2.54 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.841 1.32 . . . . 0.0 112.724 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -135.98 89.17 2.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.357 1.463 . . . . 0.0 110.178 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -137.32 32.54 2.57 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.528 1.531 . . . . 0.0 112.207 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -59.87 139.61 57.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -125.46 131.93 52.77 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.282 1.833 . . . . 0.0 108.897 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -72.01 129.68 39.12 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.03 0.532 . . . . 0.0 110.281 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -127.98 169.0 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.767 1.627 . . . . 0.0 111.419 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 C-N-CA 124.56 1.076 . . . . 0.0 115.266 -174.543 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -132.62 154.28 50.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.752 2.021 . . . . 0.0 109.647 175.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -141.98 141.96 32.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -161.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.2 p -77.17 145.25 37.81 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.486 0.715 . . . . 0.0 112.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -161.78 167.71 24.43 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.901 1.281 . . . . 0.0 111.845 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -75.86 140.63 42.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 110.785 174.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 13.3 m -139.55 165.52 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 127.636 2.374 . . . . 0.0 110.217 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 137.03 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.944 1.298 . . . . 0.0 111.709 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 90.8 m -106.2 116.94 32.79 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.01 1.324 . . . . 0.0 108.705 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.42 123.45 24.71 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 167.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -81.13 -20.18 41.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.206 1.002 . . . . 0.0 112.417 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -82.55 -38.97 22.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.274 1.43 . . . . 0.0 111.519 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.73 -16.36 16.02 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.313 1.045 . . . . 0.0 113.763 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.71 20.11 4.74 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.379 2.272 . . . . 0.0 113.987 176.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -88.16 162.11 16.89 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.106 -0.996 . . . . 0.0 112.5 172.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 89.9 m -126.29 121.97 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.804 1.242 . . . . 0.0 109.307 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -135.39 178.83 6.73 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.366 1.866 . . . . 0.0 111.054 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -67.31 -32.73 73.89 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.25 1.42 . . . . 0.0 112.751 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -158.89 155.96 25.72 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 126.628 1.971 . . . . 0.0 111.557 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.88 150.48 34.53 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.343 2.029 . . . . 0.0 110.035 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -71.25 159.6 34.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.283 1.039 . . . . 0.0 112.373 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.6 -37.71 76.43 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.826 0.851 . . . . 0.0 111.754 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.8 p -65.34 -42.29 93.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.783 1.233 . . . . 0.0 111.74 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 92.0 m -66.43 -39.22 88.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.129 0.972 . . . . 0.0 112.021 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 88.2 t -69.83 -43.99 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.922 0.889 . . . . 0.0 111.389 173.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.3 t -71.4 -42.47 68.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -75.78 -14.45 60.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.284 1.034 . . . . 0.0 112.695 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 70.5 43.69 0.76 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.11 1.764 . . . . 0.0 112.59 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -58.27 154.17 13.85 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.04 1.336 . . . . 0.0 110.221 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -80.2 138.09 36.78 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.644 0.778 . . . . 0.0 109.815 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.21 150.43 46.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 174.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -112.15 121.0 43.73 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.946 1.298 . . . . 0.0 109.187 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -87.41 148.05 25.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.929 0.891 . . . . 0.0 111.79 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -162.31 178.82 8.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 111.142 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -93.13 145.9 24.06 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.354 -0.841 . . . . 0.0 111.833 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -149.67 -155.08 6.63 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.064 2.268 . . . . 0.0 111.817 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.11 136.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.381 1.473 . . . . 0.0 110.679 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.56 141.1 48.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.822 1.249 . . . . 0.0 112.771 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.47 155.18 44.13 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.874 2.069 . . . . 0.0 110.373 177.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -115.79 146.85 41.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.321 1.448 . . . . 0.0 111.388 -164.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -141.47 149.62 41.19 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.61 138.89 49.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.86 1.664 . . . . 0.0 111.986 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 43.5 t -95.49 148.75 35.11 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 127.201 2.2 . . . . 0.0 110.669 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.4 -18.71 47.42 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.295 2.663 . . . . 0.0 115.967 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.98 -10.55 59.44 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.438 1.472 . . . . 0.0 113.964 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 103.22 -8.99 53.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.724 2.107 . . . . 0.0 114.838 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.02 150.97 47.07 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.241 1.52 . . . . 0.0 111.87 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -135.51 159.53 41.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.657 1.183 . . . . 0.0 112.808 -171.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -154.89 178.64 9.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.553 1.541 . . . . 0.0 111.569 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.18 146.97 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.61 1.964 . . . . 0.0 108.804 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.0 t -147.21 160.75 42.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 122.359 1.076 . . . . 0.0 112.793 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.99 -8.26 43.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.896 2.079 . . . . 0.0 111.758 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -110.88 174.4 5.88 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.858 2.063 . . . . 0.0 111.23 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.08 -10.2 9.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.9 tp -156.79 144.08 13.76 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.292 2.237 . . . . 0.0 109.144 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -69.47 152.62 70.84 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.989 2.459 . . . . 0.0 110.942 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -3.03 53.87 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 155.55 27.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.814 1.646 . . . . 0.0 112.986 -171.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -79.72 165.55 22.7 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.97 1.308 . . . . 0.0 111.963 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.25 133.35 55.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.435 -0.79 . . . . 0.0 112.684 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.0 m -72.93 -16.38 61.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.583 1.153 . . . . 0.0 113.306 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.66 -31.15 8.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.15 1.38 . . . . 0.0 112.325 -169.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 15.6 p -138.92 -13.18 1.24 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.23 5.06 70.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.984 1.154 . . . . 0.0 115.984 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.09 167.66 9.61 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.051 1.426 . . . . 0.0 113.718 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -130.6 49.38 2.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.512 1.525 . . . . 0.0 110.598 166.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -109.84 23.33 14.53 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.35 1.86 . . . . 0.0 113.126 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -46.83 129.61 11.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.789 2.035 . . . . 0.0 114.115 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -106.34 132.24 52.61 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.109 1.763 . . . . 0.0 109.954 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 125.18 23.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.266 0.627 . . . . 0.0 110.547 173.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.82 177.46 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 126.147 1.779 . . . . 0.0 110.159 170.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 115.086 0.794 . . . . 0.0 115.086 -170.693 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -167.7 164.9 14.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.823 2.849 . . . . 0.0 110.305 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -152.73 142.25 21.75 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.55 0.74 . . . . 0.0 111.712 -172.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 21.4 p -70.09 142.42 52.64 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 111.725 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 36.6 t -154.37 155.46 35.1 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.276 1.03 . . . . 0.0 111.505 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -73.54 141.56 46.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 109.989 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 10.8 m -139.51 163.1 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.274 2.23 . . . . 0.0 110.906 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 10.8 p -134.52 141.55 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 126.419 1.888 . . . . 0.0 110.394 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 89.5 m -112.18 117.52 32.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.993 1.317 . . . . 0.0 108.937 168.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.1 t -74.44 123.06 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.562 0.745 . . . . 0.0 109.065 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.47 -17.78 47.49 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.312 -0.867 . . . . 0.0 112.622 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 57.7 m -81.69 -40.41 22.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.441 1.096 . . . . 0.0 111.429 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.83 -16.72 16.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 72.17 22.24 3.69 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.594 2.358 . . . . 0.0 113.533 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -99.2 156.08 17.15 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.445 1.098 . . . . 0.0 112.946 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 59.7 m -120.53 132.13 55.03 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.445 1.498 . . . . 0.0 110.114 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -155.39 -178.35 7.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.11 1.764 . . . . 0.0 111.344 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -68.34 -32.07 71.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 0.0 113.131 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -159.68 154.7 21.44 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.609 1.964 . . . . 0.0 111.574 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -78.08 151.0 26.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.987 2.458 . . . . 0.0 110.599 -175.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -68.09 157.21 35.77 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.485 0.714 . . . . 0.0 112.416 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.06 -31.49 71.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.5 p -66.16 -45.52 80.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.312 1.445 . . . . 0.0 110.992 171.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.96 -41.4 97.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.06 0.944 . . . . 0.0 111.879 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.78 -43.18 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.625 0.77 . . . . 0.0 111.469 175.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -39.62 69.26 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.211 -0.931 . . . . 0.0 113.3 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -80.21 -3.04 47.46 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.669 1.188 . . . . 0.0 112.767 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 22.7 m120 62.46 45.48 6.37 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.88 1.672 . . . . 0.0 113.079 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.09 154.16 20.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.017 0.927 . . . . 0.0 110.756 172.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.94 138.0 32.76 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.913 0.885 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.5 152.17 37.58 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -116.78 137.38 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.871 1.269 . . . . 0.0 110.802 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -103.98 150.83 23.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.664 1.185 . . . . 0.0 112.348 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -164.92 -167.02 1.12 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.701 2.0 . . . . 0.0 110.808 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -115.92 151.15 35.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.608 1.163 . . . . 0.0 112.422 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -151.43 -152.23 5.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 127.532 2.492 . . . . 0.0 112.213 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -150.47 136.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.429 1.492 . . . . 0.0 110.74 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -109.38 144.54 37.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.856 1.262 . . . . 0.0 114.198 -170.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -118.62 146.2 44.83 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.152 2.581 . . . . 0.0 109.944 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -112.11 138.33 48.92 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.374 1.069 . . . . 0.0 112.43 -171.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -133.09 148.74 52.16 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.162 0.985 . . . . 0.0 113.533 -172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -127.87 141.74 51.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.012 1.725 . . . . 0.0 111.535 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 46.5 t -96.85 149.02 35.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.542 1.937 . . . . 0.0 109.992 170.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.72 -19.37 45.75 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.589 2.859 . . . . 0.0 115.764 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.1 p -77.13 -11.19 59.78 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 120.251 1.387 . . . . 0.0 114.005 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.59 -14.61 38.66 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.73 2.109 . . . . 0.0 114.496 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.01 154.76 25.72 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.53 1.165 . . . . 0.0 112.316 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -129.12 156.42 43.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.381 1.472 . . . . 0.0 112.344 -172.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.7 t -155.24 172.59 17.92 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.664 1.586 . . . . 0.0 111.599 168.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.6 mt -140.37 141.69 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.526 1.93 . . . . 0.0 108.699 -175.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.5 t -153.83 172.07 17.93 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.223 -0.923 . . . . 0.0 111.155 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.76 -24.96 18.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.402 1.481 . . . . 0.0 111.834 -175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -91.02 166.3 13.08 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.437 1.495 . . . . 0.0 111.691 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.95 -9.56 16.29 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.326 1.45 . . . . 0.0 114.835 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.26 138.31 10.62 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.049 1.74 . . . . 0.0 109.529 171.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -73.7 160.43 43.85 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.076 2.517 . . . . 0.0 110.873 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.09 21.23 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.97 153.14 19.66 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.386 1.474 . . . . 0.0 113.238 -172.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -80.63 164.66 22.7 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.131 0.972 . . . . 0.0 112.405 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.48 135.87 57.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.888 1.275 . . . . 0.0 112.43 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 12.6 p -82.64 -8.87 59.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.347 1.459 . . . . 0.0 113.74 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.3 m -106.27 -40.32 5.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.046 1.338 . . . . 0.0 112.81 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.3 -13.91 6.02 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.33 -8.02 72.14 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 164.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.13 -172.98 4.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.11 1.455 . . . . 0.0 113.097 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -128.71 100.97 5.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.214 1.405 . . . . 0.0 109.954 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -144.85 29.36 1.22 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.614 1.566 . . . . 0.0 112.343 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -60.6 141.32 56.8 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.341 1.056 . . . . 0.0 113.527 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -130.98 137.54 49.29 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.493 1.917 . . . . 0.0 109.913 176.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -64.88 119.17 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.155 1.382 . . . . 0.0 110.445 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -119.14 168.07 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.428 1.491 . . . . 0.0 110.774 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.873 0 CA-C-O 122.153 0.863 . . . . 0.0 114.855 -177.579 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 115.672 1.731 . . . . 0.0 115.672 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -130.96 133.03 45.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.269 1.828 . . . . 0.0 107.576 164.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -119.6 142.56 48.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -157.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.2 m -62.8 140.04 58.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.991 0.916 . . . . 0.0 112.392 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.6 t -149.6 163.48 37.75 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.655 1.182 . . . . 0.0 111.149 -172.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -90.83 134.57 34.34 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.108 0.963 . . . . 0.0 110.046 169.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.68 170.2 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.889 2.075 . . . . 0.0 110.483 -167.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.5 p -131.82 142.01 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.801 1.24 . . . . 0.0 111.152 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 53.0 m -111.32 116.92 31.79 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.139 0.976 . . . . 0.0 108.683 161.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 37.8 t -75.12 117.92 17.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 168.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.2 -20.29 52.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.297 1.039 . . . . 0.0 112.544 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 36.8 m -76.98 -42.69 37.91 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.693 1.197 . . . . 0.0 111.678 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 86.4 m -99.56 -16.72 18.17 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 55.6 mttm 85.76 6.8 0.4 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.061 2.944 . . . . 0.0 114.57 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -103.22 161.64 13.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.509 1.124 . . . . 0.0 113.999 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 21.9 m -110.51 138.32 47.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.686 1.595 . . . . 0.0 109.95 175.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.87 172.92 16.62 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.723 1.609 . . . . 0.0 112.485 -174.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.69 -33.61 74.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.15 0.98 . . . . 0.0 112.618 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -163.19 153.01 13.09 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 126.721 2.008 . . . . 0.0 111.151 -173.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -75.31 158.1 41.15 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.089 2.526 . . . . 0.0 110.23 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.3 158.23 36.21 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.205 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.16 -32.58 72.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.644 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -69.76 -39.9 76.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.8 1.24 . . . . 0.0 112.194 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.85 -42.45 94.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.301 0.955 . . . . 0.0 111.609 175.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.43 -42.71 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.803 0.841 . . . . 0.0 110.883 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.9 t -68.22 -43.29 78.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.168 0.895 . . . . 0.0 112.847 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.91 -3.8 40.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.078 0.951 . . . . 0.0 113.092 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 57.57 50.59 10.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.294 1.838 . . . . 0.0 112.127 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -61.42 153.18 27.76 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.309 1.044 . . . . 0.0 110.593 169.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -86.25 135.0 33.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.582 0.753 . . . . 0.0 110.227 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.77 153.91 48.46 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.628 0.771 . . . . 0.0 112.396 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -114.17 128.55 56.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.13 1.372 . . . . 0.0 109.232 166.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -91.96 146.09 24.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.343 1.057 . . . . 0.0 111.141 172.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -163.41 178.46 8.06 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.222 1.809 . . . . 0.0 110.978 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.65 154.29 17.41 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 121.14 -0.975 . . . . 0.0 112.839 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.85 -157.87 8.97 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.924 2.202 . . . . 0.0 111.614 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.9 139.29 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.388 1.475 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -111.2 136.83 49.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.844 1.658 . . . . 0.0 112.527 -172.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.36 143.22 35.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.893 1.677 . . . . 0.0 109.22 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -104.28 147.93 26.94 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.673 1.189 . . . . 0.0 110.236 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -135.97 143.51 44.89 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.461 0.704 . . . . 0.0 112.508 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -120.84 141.56 50.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.085 1.754 . . . . 0.0 111.89 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.41 149.23 35.85 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.518 1.927 . . . . 0.0 110.322 168.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -58.17 -22.62 57.57 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.196 2.597 . . . . 0.0 115.503 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -76.09 -12.98 60.21 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 120.218 1.372 . . . . 0.0 114.506 173.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.85 -13.36 34.83 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.363 1.935 . . . . 0.0 114.719 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -61.29 153.74 25.64 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.371 1.585 . . . . 0.0 112.154 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 27.1 mmt-85 -128.91 160.0 34.03 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.104 1.362 . . . . 0.0 112.812 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.1 t -158.44 178.27 10.34 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.276 1.83 . . . . 0.0 110.691 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.7 mt -141.31 146.5 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 126.27 1.828 . . . . 0.0 108.641 -175.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -141.48 159.03 43.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.258 0.623 . . . . 0.0 111.409 170.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.3 mt -82.86 -14.23 54.68 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.593 -0.692 . . . . 0.0 111.881 164.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -100.9 169.05 9.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.109 1.764 . . . . 0.0 112.025 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.41 -13.53 13.93 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.691 1.996 . . . . 0.0 115.238 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.6 tp -161.07 138.9 6.99 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.963 1.705 . . . . 0.0 109.882 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.74 157.57 43.76 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.383 2.722 . . . . 0.0 111.013 172.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -87.47 -27.36 22.72 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.83 147.98 30.18 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.585 1.154 . . . . 0.0 112.974 -164.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -82.08 161.04 23.04 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.906 -1.121 . . . . 0.0 111.683 172.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.41 139.45 58.2 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.814 1.246 . . . . 0.0 113.146 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -80.51 -17.21 52.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.219 1.008 . . . . 0.0 112.941 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 87.4 m -104.36 -36.6 7.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.013 1.325 . . . . 0.0 112.298 -168.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -129.87 -13.6 4.11 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.93 69.61 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.124 1.345 . . . . 0.0 116.011 163.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.64 -170.23 2.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.151 1.475 . . . . 0.0 113.026 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -133.23 95.55 3.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.614 1.565 . . . . 0.0 110.036 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.04 33.63 1.74 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.577 1.551 . . . . 0.0 112.111 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.03 134.53 57.18 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.942 -1.098 . . . . 0.0 113.211 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -119.65 135.6 54.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.134 1.774 . . . . 0.0 109.201 172.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -66.61 131.46 46.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.188 0.595 . . . . 0.0 110.414 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.31 169.65 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.328 1.851 . . . . 0.0 110.091 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 C-N-CA 124.498 1.047 . . . . 0.0 114.585 -177.149 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.1 145.88 12.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 129.924 3.289 . . . . 0.0 108.585 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -127.21 137.93 53.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.935 0.894 . . . . 0.0 112.506 -166.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.9 m -64.7 129.74 40.96 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.4 -0.812 . . . . 0.0 112.157 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 89.0 m -130.31 173.63 10.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.11 1.764 . . . . 0.0 111.723 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -91.2 143.77 26.32 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.484 0.714 . . . . 0.0 109.768 160.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.74 163.13 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 127.459 2.303 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.6 p -135.2 136.88 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.125 1.37 . . . . 0.0 110.876 -174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.0 m -107.8 114.22 28.01 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.81 1.244 . . . . 0.0 108.987 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -75.28 116.68 16.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -78.52 -17.9 55.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.338 1.055 . . . . 0.0 112.001 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.6 m -82.55 -38.55 23.59 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.457 1.503 . . . . 0.0 111.729 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 80.2 m -100.99 -16.43 17.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 68.87 48.67 0.72 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.698 1.999 . . . . 0.0 112.686 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -135.74 160.91 37.07 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.918 1.287 . . . . 0.0 112.516 171.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 29.1 m -119.97 135.95 54.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.527 1.531 . . . . 0.0 110.393 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.83 178.82 9.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.724 1.61 . . . . 0.0 110.563 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -21.16 61.04 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.523 -1.361 . . . . 0.0 114.465 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -155.08 153.42 27.17 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 124.709 1.204 . . . . 0.0 113.224 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -80.6 154.3 20.7 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.456 2.771 . . . . 0.0 109.288 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -76.42 158.98 30.87 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.797 0.808 . . . . 0.0 112.084 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.5 -32.88 72.93 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.623 -0.673 . . . . 0.0 112.172 174.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.9 p -66.32 -43.35 86.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.314 1.046 . . . . 0.0 111.451 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.18 -41.97 96.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.046 0.938 . . . . 0.0 112.088 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.53 -40.88 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.797 0.839 . . . . 0.0 111.096 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 18.0 t -69.66 -43.27 72.91 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.161 0.891 . . . . 0.0 113.205 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.77 -5.74 49.42 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.608 1.163 . . . . 0.0 112.925 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 56.8 51.94 10.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.243 1.817 . . . . 0.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -60.79 153.66 23.85 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.484 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.77 138.34 32.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.533 0.733 . . . . 0.0 110.345 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.12 152.97 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 122.042 0.925 . . . . 0.0 112.783 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -118.25 144.56 45.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.929 1.291 . . . . 0.0 109.757 166.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -105.8 146.97 29.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.08 . . . . 0.0 112.231 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -148.28 177.37 9.48 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.457 2.303 . . . . 0.0 109.854 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -100.2 155.57 17.68 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.374 -1.454 . . . . 0.0 112.841 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -165.98 -156.22 9.25 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.675 1.607 . . . . 0.0 113.163 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.75 135.55 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.11 1.364 . . . . 0.0 110.518 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -100.11 150.26 22.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.713 1.605 . . . . 0.0 113.28 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -120.62 138.01 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.38 2.272 . . . . 0.0 108.971 -169.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -108.69 142.65 38.88 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.382 1.073 . . . . 0.0 112.216 -171.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -137.19 154.85 50.11 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.812 -173.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.84 142.72 47.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.912 1.685 . . . . 0.0 112.268 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 801' ' ' CYS . . . . . 0.403 ' SG ' ' HD2' ' A' ' 802' ' ' PRO . 48.1 t -100.59 151.23 37.52 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.971 2.108 . . . . 0.0 111.173 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 802' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 801' ' ' CYS . 87.1 Cg_exo -46.76 -33.33 13.67 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 124.031 3.154 . . . . 0.0 116.607 173.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.4 p -77.58 -10.06 59.29 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 102.26 -9.03 55.93 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.177 1.846 . . . . 0.0 114.661 -176.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -62.62 154.82 27.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.882 1.341 . . . . 0.0 111.846 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -125.61 157.11 38.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.025 1.73 . . . . 0.0 111.784 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.7 t -155.34 173.86 16.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.649 1.18 . . . . 0.0 111.432 166.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.9 mt -139.78 146.54 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 126.441 1.896 . . . . 0.0 108.748 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.5 t -147.97 168.31 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.849 1.26 . . . . 0.0 111.055 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.7 mt -87.1 -17.53 32.61 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.182 -0.949 . . . . 0.0 112.238 165.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.55 161.26 17.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 112.246 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -64.07 -13.17 45.42 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.55 138.09 10.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 127.221 2.208 . . . . 0.0 108.308 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -71.13 166.11 30.24 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.347 2.698 . . . . 0.0 110.657 174.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 -8.29 12.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.664 1.186 . . . . 0.0 113.75 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -76.04 150.32 37.36 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 112.524 176.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -79.52 165.75 22.66 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.497 -0.752 . . . . 0.0 111.067 167.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 51.1 t -61.9 134.37 56.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.083 0.953 . . . . 0.0 112.791 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -74.09 -15.69 61.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.271 1.029 . . . . 0.0 113.769 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.2 m -106.24 -37.73 6.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 112.762 -171.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.56 -14.06 3.72 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.15 -3.65 76.78 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 164.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -177.23 6.6 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.338 1.569 . . . . 0.0 113.309 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -130.07 97.23 4.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.402 1.481 . . . . 0.0 110.028 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -144.05 27.21 1.46 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.959 1.703 . . . . 0.0 111.927 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -55.05 133.54 48.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.233 1.013 . . . . 0.0 112.947 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -114.11 132.31 56.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.916 1.686 . . . . 0.0 109.448 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -66.01 127.48 32.26 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.48 175.66 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.76 1.624 . . . . 0.0 110.589 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.783 0 C-N-CA 124.577 1.084 . . . . 0.0 114.514 -178.346 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -141.49 157.51 45.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.313 1.845 . . . . 0.0 111.026 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -133.05 148.84 52.21 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.1 0.96 . . . . 0.0 112.725 -168.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 40.9 p -77.55 146.65 36.18 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.787 0.803 . . . . 0.0 111.982 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.0 m -146.65 161.56 40.3 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.439 1.896 . . . . 0.0 110.194 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -78.32 136.93 37.82 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.51 164.26 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 127.69 2.396 . . . . 0.0 109.866 -171.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.1 p -135.0 130.8 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 125.778 1.631 . . . . 0.0 110.643 -172.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 58.9 m -97.97 123.45 41.97 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.09 119.04 15.73 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 164.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -21.51 56.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.238 -0.914 . . . . 0.0 112.276 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.7 m -74.43 -48.91 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.026 1.331 . . . . 0.0 111.102 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.12 -18.86 19.83 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 72.12 23.8 3.31 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 127.63 2.372 . . . . 0.0 114.556 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -100.24 158.17 16.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.361 1.064 . . . . 0.0 112.459 172.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.0 m -119.42 138.11 53.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.257 1.423 . . . . 0.0 111.092 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -154.77 175.44 13.71 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.733 2.013 . . . . 0.0 110.095 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -33.91 73.82 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.718 -1.239 . . . . 0.0 112.812 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -136.73 156.67 75.99 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.363 1.865 . . . . 0.0 111.282 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -69.41 153.01 71.14 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.802 2.334 . . . . 0.0 110.476 172.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.2 160.5 26.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.693 0.797 . . . . 0.0 112.878 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.34 -37.63 78.32 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.662 -0.648 . . . . 0.0 111.52 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.4 p -62.89 -42.53 99.81 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.676 1.19 . . . . 0.0 112.003 173.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.7 m -68.98 -37.98 79.07 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.864 0.866 . . . . 0.0 112.116 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.15 -42.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.972 0.509 . . . . 0.0 110.83 172.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 -42.27 76.55 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -80.57 -7.79 59.36 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.667 1.187 . . . . 0.0 113.132 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 19.1 m120 65.44 44.61 3.06 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.189 1.796 . . . . 0.0 112.367 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -61.52 156.33 19.83 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.64 0.776 . . . . 0.0 110.719 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.75 137.78 32.09 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.345 0.658 . . . . 0.0 110.598 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.25 163.67 29.45 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -139.52 137.18 35.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 112.172 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -102.2 151.52 22.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.446 1.098 . . . . 0.0 113.559 -171.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -169.59 -177.38 2.71 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.173 2.589 . . . . 0.0 109.539 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -113.71 149.78 34.27 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.011 -1.68 . . . . 0.0 113.416 -174.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -162.07 -167.14 22.07 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.482 1.515 . . . . 0.0 114.116 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.52 134.31 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.514 1.526 . . . . 0.0 109.846 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.02 164.44 12.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.988 1.315 . . . . 0.0 113.987 -175.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -133.36 124.92 28.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.689 1.996 . . . . 0.0 109.352 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -98.09 139.42 33.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 111.579 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -132.94 153.77 51.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.686 1.195 . . . . 0.0 113.347 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -133.27 143.59 49.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.375 1.87 . . . . 0.0 111.629 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.95 147.91 34.58 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.752 2.021 . . . . 0.0 110.337 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.98 -19.38 55.23 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.434 2.756 . . . . 0.0 115.898 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -76.19 -12.0 60.02 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.206 1.366 . . . . 0.0 113.964 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 105.6 -8.48 43.68 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.265 1.888 . . . . 0.0 114.243 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.18 153.69 41.76 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 118.928 1.364 . . . . 0.0 111.897 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.84 155.14 44.59 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.944 1.698 . . . . 0.0 111.511 -173.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -157.22 174.82 14.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.917 1.287 . . . . 0.0 111.271 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -140.79 147.06 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.793 1.637 . . . . 0.0 108.806 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.9 t -143.94 175.31 10.12 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.919 -1.113 . . . . 0.0 111.007 170.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.48 -18.74 21.96 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.548 0.739 . . . . 0.0 111.292 162.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -87.53 167.15 14.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.013 1.325 . . . . 0.0 112.31 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -66.87 -13.12 61.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -163.03 136.9 4.66 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.678 1.991 . . . . 0.0 109.283 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -73.56 155.37 50.04 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 123.243 2.629 . . . . 0.0 110.689 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.412 ' H ' ' HD3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -96.39 -17.47 20.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -69.35 145.93 52.55 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.712 1.605 . . . . 0.0 112.729 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -79.92 162.5 24.93 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.307 -0.87 . . . . 0.0 110.709 163.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.2 140.1 58.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.638 1.175 . . . . 0.0 112.771 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.2 m -85.6 -10.26 56.11 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.3 m -102.34 -42.21 6.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.596 1.158 . . . . 0.0 111.989 -175.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.7 p -123.34 -14.81 7.35 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.65 -6.67 74.22 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 165.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -170.25 2.57 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.404 1.602 . . . . 0.0 113.199 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -129.33 101.42 5.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.532 1.533 . . . . 0.0 110.284 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -145.17 29.32 1.18 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 126.287 1.835 . . . . 0.0 112.731 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.13 137.63 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.78 -1.2 . . . . 0.0 113.18 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -122.99 133.05 54.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.611 1.964 . . . . 0.0 109.502 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.27 125.27 25.56 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.369 0.668 . . . . 0.0 110.218 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.4 m -131.09 176.76 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.494 1.518 . . . . 0.0 110.784 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.723 0 C-N-CA 124.421 1.01 . . . . 0.0 114.052 176.171 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.21 140.33 7.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 129.016 2.926 . . . . 0.0 108.45 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -118.91 145.05 46.06 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.726 0.774 . . . . 0.0 112.938 -159.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 50.2 p -76.59 151.6 36.22 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.7 0.762 . . . . 0.0 112.449 175.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -157.31 177.38 11.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 0.0 110.732 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.5 ttm105 -90.77 142.29 27.91 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.779 0.831 . . . . 0.0 109.611 167.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.62 162.68 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.31 1.844 . . . . 0.0 110.38 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.6 p -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.263 1.025 . . . . 0.0 111.477 -173.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 56.6 m -122.09 116.6 24.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.863 1.265 . . . . 0.0 108.806 162.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.0 t -69.96 120.79 16.21 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -80.46 -21.59 41.9 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.995 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.4 m -74.81 -47.2 31.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.063 1.345 . . . . 0.0 110.985 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -98.05 -16.14 19.73 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? 73.25 20.94 3.18 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.887 2.475 . . . . 0.0 114.56 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -97.04 156.49 16.34 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.473 1.109 . . . . 0.0 113.053 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 41.3 m -111.91 142.51 44.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.192 1.797 . . . . 0.0 109.58 173.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.6 168.72 25.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.899 1.28 . . . . 0.0 112.653 -168.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -72.22 -32.34 66.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 112.266 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.21 154.44 16.25 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 127.143 2.177 . . . . 0.0 110.453 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.57 151.96 42.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.644 2.229 . . . . 0.0 111.044 -176.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -69.78 161.96 28.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.903 0.881 . . . . 0.0 113.163 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.56 -36.76 81.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.238 -0.914 . . . . 0.0 112.15 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.2 p -63.87 -43.43 96.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.516 1.126 . . . . 0.0 111.553 171.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.0 -40.09 94.44 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.813 0.845 . . . . 0.0 112.181 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 87.0 t -71.42 -41.97 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.576 0.75 . . . . 0.0 111.665 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 113.015 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -76.66 -9.7 58.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.048 0.939 . . . . 0.0 112.604 173.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 58.7 52.18 7.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.598 1.559 . . . . 0.0 112.256 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.43 157.45 11.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.225 1.01 . . . . 0.0 110.487 169.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -84.53 137.88 33.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.704 -0.623 . . . . 0.0 110.375 173.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.81 148.09 41.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.475 0.655 . . . . 0.0 112.673 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.8 123.11 46.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.235 1.414 . . . . 0.0 109.775 166.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -96.11 149.81 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.805 0.842 . . . . 0.0 111.948 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -161.99 177.56 9.66 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.27 1.828 . . . . 0.0 110.362 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.29 154.99 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.84 -1.162 . . . . 0.0 112.374 174.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.29 -176.19 30.07 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.762 1.649 . . . . 0.0 112.855 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.1 t -126.95 124.61 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.005 1.322 . . . . 0.0 109.542 174.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -82.37 141.15 33.05 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.866 1.266 . . . . 0.0 112.41 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -111.19 134.69 52.59 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 126.14 1.776 . . . . 0.0 109.919 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -100.55 141.85 32.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.945 1.298 . . . . 0.0 111.109 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.55 155.11 50.99 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.206 1.002 . . . . 0.0 112.876 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -138.45 142.41 39.48 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.873 1.669 . . . . 0.0 111.688 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -100.27 147.79 34.01 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 127.015 2.126 . . . . 0.0 110.164 172.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.29 -18.87 47.53 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.416 2.744 . . . . 0.0 115.853 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.9 p -76.53 -12.43 60.03 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 120.62 1.555 . . . . 0.0 114.316 172.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.9 -8.51 39.33 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 126.564 2.03 . . . . 0.0 114.538 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -65.66 155.08 37.03 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.076 1.438 . . . . 0.0 111.832 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -131.45 157.89 42.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.979 1.712 . . . . 0.0 112.147 -171.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.4 t -160.43 173.51 15.49 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.416 1.487 . . . . 0.0 111.357 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 24.9 mt -139.22 142.28 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.661 1.984 . . . . 0.0 108.684 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -143.75 161.19 39.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.495 0.718 . . . . 0.0 111.793 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.83 -14.53 47.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.754 0.821 . . . . 0.0 112.535 166.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -91.31 166.17 13.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.253 1.421 . . . . 0.0 112.404 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -63.16 -14.98 55.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.514 1.526 . . . . 0.0 114.672 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.0 tp -162.28 139.11 6.12 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 127.246 2.218 . . . . 0.0 109.09 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.56 153.92 54.93 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.998 2.465 . . . . 0.0 110.78 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.25 -21.33 20.39 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 147.85 32.51 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.948 1.299 . . . . 0.0 113.214 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -80.8 164.06 22.99 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.263 -0.898 . . . . 0.0 111.692 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.74 139.95 58.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.278 1.031 . . . . 0.0 112.972 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 58.3 m -86.86 -11.86 49.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.263 1.025 . . . . 0.0 112.928 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.2 m -102.3 -41.14 6.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.334 1.454 . . . . 0.0 112.142 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -125.31 -13.62 6.63 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.53 -8.96 71.7 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 164.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -171.89 3.36 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.864 1.332 . . . . 0.0 113.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -129.34 96.3 4.26 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.187 1.395 . . . . 0.0 110.07 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.82 31.53 1.62 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.814 1.645 . . . . 0.0 112.125 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -58.94 134.21 56.74 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.086 -1.009 . . . . 0.0 112.186 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -119.91 135.88 54.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.768 1.627 . . . . 0.0 108.837 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -71.57 131.18 42.87 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.971 0.508 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.7 169.63 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.067 1.747 . . . . 0.0 110.993 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.773 0 C-N-CA 124.511 1.053 . . . . 0.0 113.744 175.624 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 . . . . . 0 CA--C 1.552 1.056 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.69 152.78 48.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.349 1.86 . . . . 0.0 109.897 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -141.55 148.96 40.17 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.631 -0.668 . . . . 0.0 112.743 -165.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 61.0 p -81.32 159.76 24.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.498 1.119 . . . . 0.0 113.597 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -161.04 178.02 9.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.035 1.734 . . . . 0.0 111.707 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -91.39 143.11 26.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.509 0.724 . . . . 0.0 109.795 163.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 32.7 m -137.94 170.78 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 127.088 2.155 . . . . 0.0 110.215 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.5 p -141.44 141.65 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.557 1.143 . . . . 0.0 111.346 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -108.61 116.81 32.68 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.753 1.221 . . . . 0.0 108.831 165.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.4 t -74.39 119.71 18.96 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 166.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.95 -18.53 50.19 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.242 1.017 . . . . 0.0 112.417 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -81.34 -40.04 24.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.445 1.098 . . . . 0.0 111.692 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 73.4 m -100.8 -17.45 16.9 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 74.27 21.15 2.49 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 127.75 2.42 . . . . 0.0 113.499 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -96.55 158.46 15.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.514 -1.366 . . . . 0.0 112.864 174.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.2 m -117.48 135.15 54.12 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 109.42 171.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.1 -178.84 7.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.811 1.244 . . . . 0.0 111.795 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.7 -30.05 65.25 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.22 -0.925 . . . . 0.0 113.148 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -160.26 157.02 24.18 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 126.162 1.785 . . . . 0.0 111.605 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.78 152.76 37.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.462 2.108 . . . . 0.0 110.005 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -70.32 159.05 34.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.587 0.708 . . . . 0.0 111.947 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.84 -32.94 72.32 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 111.74 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.6 p -65.63 -43.67 88.81 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.664 1.186 . . . . 0.0 111.697 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.1 m -63.67 -40.85 97.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.433 1.015 . . . . 0.0 112.012 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.87 -42.75 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.693 0.797 . . . . 0.0 111.236 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.9 t -70.33 -42.06 72.4 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.036 0.934 . . . . 0.0 113.159 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.38 -4.81 44.28 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.423 1.089 . . . . 0.0 112.507 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 58.89 47.32 12.61 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.769 1.628 . . . . 0.0 112.18 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -60.76 152.16 27.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.513 1.125 . . . . 0.0 110.622 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -83.81 138.44 33.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.389 0.676 . . . . 0.0 109.939 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.35 153.24 42.52 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -115.99 128.58 55.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.086 1.354 . . . . 0.0 109.511 169.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.16 150.79 19.99 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.366 1.066 . . . . 0.0 111.901 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -164.38 178.82 7.19 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.538 1.935 . . . . 0.0 110.356 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -95.52 155.07 16.9 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.086 -1.008 . . . . 0.0 112.953 174.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.49 -176.86 30.03 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.648 1.594 . . . . 0.0 113.502 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 65.8 t -130.95 134.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.849 1.66 . . . . 0.0 109.149 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -104.46 148.78 26.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -172.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -114.98 132.65 56.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.539 2.336 . . . . 0.0 109.353 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -100.23 145.46 28.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.08 0.952 . . . . 0.0 111.336 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -135.73 153.45 51.57 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.717 0.807 . . . . 0.0 112.951 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -132.18 142.69 49.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.912 1.685 . . . . 0.0 112.125 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.77 150.2 36.52 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.461 1.905 . . . . 0.0 111.131 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.55 -24.0 59.56 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.399 2.732 . . . . 0.0 115.714 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 15.6 p -75.51 -12.77 60.3 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.75 -9.53 37.6 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.756 1.646 . . . . 0.0 114.78 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -65.54 155.23 36.35 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.724 1.262 . . . . 0.0 112.315 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -128.5 158.7 37.67 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.388 1.475 . . . . 0.0 111.662 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.1 t -157.94 174.99 14.42 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.642 1.577 . . . . 0.0 110.794 170.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.89 143.83 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.789 1.636 . . . . 0.0 108.985 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -140.57 165.95 26.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.227 1.011 . . . . 0.0 111.7 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.81 -9.08 44.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.503 1.121 . . . . 0.0 112.013 165.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.66 167.97 10.63 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.625 1.57 . . . . 0.0 111.509 174.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.49 -13.51 58.98 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.931 1.292 . . . . 0.0 114.125 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.7 tp -155.68 138.63 10.64 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.093 1.757 . . . . 0.0 109.792 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 154.62 54.04 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.552 2.835 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.03 -13.17 39.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 155.9 18.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.585 1.554 . . . . 0.0 113.702 -167.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -81.31 164.91 21.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.2 1.0 . . . . 0.0 111.83 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.34 134.24 56.73 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.382 -0.824 . . . . 0.0 112.313 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.0 m -73.21 -16.96 61.4 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.206 1.002 . . . . 0.0 113.06 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 93.4 m -107.91 -40.62 5.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 112.21 -167.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.87 -11.36 7.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.12 -7.06 81.33 Favored Glycine 0 N--CA 1.474 1.213 0 C-N-CA 125.189 1.376 . . . . 0.0 116.403 163.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -173.22 4.25 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 118.799 1.299 . . . . 0.0 112.615 178.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -129.4 97.25 4.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.239 1.416 . . . . 0.0 109.782 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -141.65 30.64 1.68 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.764 1.625 . . . . 0.0 112.215 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -60.2 132.92 55.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.096 0.959 . . . . 0.0 113.29 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -111.25 134.34 52.92 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.27 1.828 . . . . 0.0 109.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.74 129.24 37.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.972 0.415 . . . . 0.0 110.397 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.0 m -133.22 177.21 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.175 1.79 . . . . 0.0 110.488 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.135 0 C-N-CA 124.459 1.028 . . . . 0.0 113.986 176.191 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 . . . . . 0 CA--C 1.554 1.099 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -151.09 160.71 43.73 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.759 2.423 . . . . 0.0 109.537 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -150.2 146.98 27.16 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 15.1 m -70.43 150.99 45.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.546 1.138 . . . . 0.0 112.713 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.3 t -151.15 161.06 43.42 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.218 1.407 . . . . 0.0 110.511 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -80.84 138.67 36.22 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 160.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.9 167.95 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 -170.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.28 137.79 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.883 1.273 . . . . 0.0 111.061 -171.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 82.7 m -106.8 117.73 34.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.446 1.098 . . . . 0.0 108.336 164.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.05 117.79 16.25 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.9 -23.93 58.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.199 1.0 . . . . 0.0 111.876 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -75.7 -46.78 29.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.931 1.292 . . . . 0.0 111.158 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.8 m -96.1 -17.59 20.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.47 30.87 2.4 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.599 2.359 . . . . 0.0 114.105 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -111.08 157.53 19.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.552 1.141 . . . . 0.0 112.285 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.2 m -118.86 134.21 55.31 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.664 1.586 . . . . 0.0 110.38 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.97 -179.26 7.39 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.517 1.927 . . . . 0.0 110.827 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -22.34 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.702 -1.249 . . . . 0.0 113.82 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -161.28 153.47 16.72 Favored Pre-proline 0 N--CA 1.478 0.971 0 C-N-CA 125.515 1.526 . . . . 0.0 113.148 -175.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -77.39 153.62 31.22 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.77 2.314 . . . . 0.0 110.493 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -71.49 161.21 31.4 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.168 0.985 . . . . 0.0 112.398 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.23 -39.35 75.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.241 -0.912 . . . . 0.0 111.641 173.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 9.6 p -66.54 -39.37 88.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.578 1.151 . . . . 0.0 112.021 173.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 91.0 m -64.47 -39.36 93.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.865 0.866 . . . . 0.0 111.657 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.31 -41.69 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 72.2 m -73.46 -39.13 65.16 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -77.44 -17.36 58.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.692 0.797 . . . . 0.0 111.943 168.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.82 49.43 0.37 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.638 1.975 . . . . 0.0 112.354 172.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -57.42 155.82 8.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.803 1.641 . . . . 0.0 110.89 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.63 136.68 35.53 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.15 0.58 . . . . 0.0 109.889 172.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.97 152.07 46.02 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.5 0.72 . . . . 0.0 112.801 176.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -114.11 126.27 54.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.1 1.36 . . . . 0.0 109.744 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -95.0 149.39 21.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.096 0.959 . . . . 0.0 112.391 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.33 -170.78 2.17 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.791 2.036 . . . . 0.0 110.413 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -110.28 152.13 26.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.113 -0.992 . . . . 0.0 113.312 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.87 -169.39 21.46 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.975 1.75 . . . . 0.0 112.7 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.14 137.83 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.482 1.513 . . . . 0.0 109.408 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -108.68 144.01 37.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.837 1.255 . . . . 0.0 113.416 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.83 151.2 38.5 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.834 2.054 . . . . 0.0 109.698 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -110.38 139.59 45.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.224 1.41 . . . . 0.0 111.66 -171.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.26 151.82 51.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.73 0.812 . . . . 0.0 112.992 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.87 141.4 46.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.918 1.687 . . . . 0.0 111.733 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.3 t -96.56 148.25 34.16 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 126.226 1.81 . . . . 0.0 110.337 172.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.59 -19.01 42.85 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 123.356 2.704 . . . . 0.0 116.333 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.5 p -77.9 -12.18 59.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.091 1.314 . . . . 0.0 114.368 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.37 -9.8 38.87 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.386 1.946 . . . . 0.0 114.831 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.74 155.22 30.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.655 1.727 . . . . 0.0 112.025 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -130.27 156.11 45.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.416 1.486 . . . . 0.0 111.845 -173.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -158.54 173.57 16.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.233 1.413 . . . . 0.0 112.007 169.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.6 mt -139.95 145.18 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 127.018 2.127 . . . . 0.0 108.329 -174.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.7 t -148.53 162.23 40.06 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.974 -1.079 . . . . 0.0 111.629 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 98.1 mt -81.47 -20.97 39.1 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.57 -0.706 . . . . 0.0 112.006 167.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -89.01 164.01 15.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.879 1.272 . . . . 0.0 111.594 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -11.18 22.28 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.2 tp -156.56 135.08 7.51 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 126.405 1.882 . . . . 0.0 109.857 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.82 157.01 61.74 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.496 2.798 . . . . 0.0 111.867 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -16.93 31.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.11 150.84 22.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.591 1.557 . . . . 0.0 113.469 -167.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -81.62 162.95 22.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.298 1.039 . . . . 0.0 111.658 173.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.98 137.84 58.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.683 1.193 . . . . 0.0 113.068 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 3.7 p -85.91 -10.13 55.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.737 1.615 . . . . 0.0 113.427 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 97.6 m -103.97 -40.85 6.05 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.684 1.194 . . . . 0.0 112.688 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.7 p -125.93 -14.42 6.12 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.76 -9.38 68.54 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.123 1.344 . . . . 0.0 116.438 164.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.38 -171.01 3.18 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.768 1.284 . . . . 0.0 113.402 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -132.34 94.58 3.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.672 1.589 . . . . 0.0 109.941 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -140.23 31.13 1.95 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.69 1.596 . . . . 0.0 112.314 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -59.06 130.62 47.91 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.023 -1.048 . . . . 0.0 112.934 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -108.23 132.78 53.31 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.102 1.761 . . . . 0.0 108.988 171.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -75.8 122.46 24.1 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.59 166.1 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.838 1.655 . . . . 0.0 111.778 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.768 0 C-N-CA 123.52 0.581 . . . . 0.0 114.075 -177.537 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 135.5 34.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.17 1.788 . . . . 0.0 107.572 166.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -135.79 142.2 44.86 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -148.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 19.7 m -64.33 142.27 58.48 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.767 0.827 . . . . 0.0 112.701 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.37 160.44 42.65 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.83 1.252 . . . . 0.0 111.617 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -87.12 138.99 31.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.526 1.13 . . . . 0.0 110.188 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 14.0 m -140.44 168.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.632 1.973 . . . . 0.0 110.646 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.23 135.65 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.319 1.448 . . . . 0.0 110.606 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 29.7 m -113.14 119.32 37.42 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.269 1.428 . . . . 0.0 110.369 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.9 120.22 21.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.944 0.897 . . . . 0.0 109.376 169.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -80.09 -7.79 59.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.131 . . . . 0.0 112.544 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.7 m -89.98 -47.5 7.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.564 1.146 . . . . 0.0 110.606 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.6 m -96.96 -19.15 18.98 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -172.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 73.14 35.57 0.93 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.566 1.946 . . . . 0.0 114.356 173.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -106.54 161.54 14.52 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.66 1.184 . . . . 0.0 112.274 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 33.6 m -124.07 121.16 34.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.804 1.242 . . . . 0.0 108.711 166.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -129.25 172.97 10.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.584 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -38.92 86.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.921 0.889 . . . . 0.0 111.566 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.98 156.43 70.49 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.814 2.045 . . . . 0.0 110.665 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.42 151.14 25.75 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.486 2.124 . . . . 0.0 110.441 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.43 147.99 51.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.228 0.611 . . . . 0.0 111.769 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.67 -37.11 77.86 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.243 -0.91 . . . . 0.0 111.584 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 4.4 p -68.61 -37.41 79.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 112.821 174.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 73.3 m -66.55 -37.65 85.44 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.346 0.976 . . . . 0.0 112.223 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.48 -47.09 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.795 0.838 . . . . 0.0 111.151 172.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 34.1 m -72.74 -36.32 67.71 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -77.54 -10.32 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.982 0.81 . . . . 0.0 112.835 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.83 39.94 1.82 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.16 1.784 . . . . 0.0 112.762 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -59.65 153.0 21.08 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.796 1.238 . . . . 0.0 110.848 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -84.39 125.58 32.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.31 0.644 . . . . 0.0 110.906 173.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.66 149.06 52.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.564 1.146 . . . . 0.0 111.936 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -110.29 132.95 53.72 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.882 1.273 . . . . 0.0 110.308 171.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -91.45 149.31 21.76 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.841 1.257 . . . . 0.0 111.796 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -168.32 -175.67 2.64 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.652 1.981 . . . . 0.0 111.422 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.0 158.04 18.67 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.884 -1.135 . . . . 0.0 112.828 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.63 -153.53 7.1 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.111 2.291 . . . . 0.0 111.982 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 138.16 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.748 1.619 . . . . 0.0 110.553 174.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -97.36 139.49 33.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.661 1.184 . . . . 0.0 112.56 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -111.44 137.71 48.88 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.687 2.395 . . . . 0.0 108.577 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -102.34 145.04 30.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 110.052 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -135.91 153.2 51.51 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.791 0.837 . . . . 0.0 112.916 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -134.46 141.31 46.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.962 1.705 . . . . 0.0 111.283 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.46 148.44 34.96 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 126.91 2.084 . . . . 0.0 110.295 172.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.41 -20.69 41.46 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.122 3.215 . . . . 0.0 116.345 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.3 p -76.79 -12.37 59.97 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.129 1.331 . . . . 0.0 113.824 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.17 -7.78 41.02 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.511 2.005 . . . . 0.0 114.841 -177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -65.97 154.78 38.48 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.848 1.324 . . . . 0.0 112.185 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -130.88 157.39 43.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.949 1.7 . . . . 0.0 112.141 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -159.93 172.93 16.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.657 1.583 . . . . 0.0 111.29 170.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.9 mt -142.18 140.67 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.15 1.78 . . . . 0.0 108.62 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.3 t -155.13 165.62 36.14 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.077 -1.015 . . . . 0.0 112.252 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.79 -15.94 25.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.182 1.793 . . . . 0.0 111.743 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -85.8 164.38 17.6 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.423 1.489 . . . . 0.0 111.45 170.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.62 59.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.53 125.29 1.38 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 126.824 2.049 . . . . 0.0 108.737 174.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.54 146.61 62.07 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.075 2.517 . . . . 0.0 110.859 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -5.08 58.4 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.6 154.55 17.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.614 1.566 . . . . 0.0 113.528 -175.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -79.47 162.91 25.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 112.541 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.24 135.9 57.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.994 0.902 . . . . 0.0 112.126 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 8.0 p -82.25 -8.95 59.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.227 1.411 . . . . 0.0 114.1 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 95.0 m -104.95 -44.71 4.74 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.699 1.2 . . . . 0.0 112.11 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -121.82 -14.19 8.13 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.67 -6.29 77.2 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 165.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 -167.45 1.88 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.046 1.423 . . . . 0.0 113.055 177.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -132.87 96.55 3.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.394 1.478 . . . . 0.0 110.142 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -144.11 32.05 1.24 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.713 1.605 . . . . 0.0 112.271 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -60.26 140.83 56.83 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.153 -0.967 . . . . 0.0 113.051 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -127.69 132.6 49.64 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.356 1.862 . . . . 0.0 109.232 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 58.8 ttp85 -67.43 129.35 39.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.271 0.628 . . . . 0.0 109.96 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.34 170.88 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.271 1.829 . . . . 0.0 110.152 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.85 0 C-N-CA 124.116 0.865 . . . . 0.0 113.778 -179.706 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 123.155 1.455 . . . . 0.0 113.828 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -169.93 165.92 9.5 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 128.012 2.525 . . . . 0.0 111.585 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -151.21 150.46 30.63 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.874 0.87 . . . . 0.0 111.395 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 57.8 p -81.45 149.33 28.82 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -162.96 159.17 23.21 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.528 1.531 . . . . 0.0 110.812 -173.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -73.41 140.86 46.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.738 0.415 . . . . 0.0 111.054 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.16 167.28 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.474 1.909 . . . . 0.0 110.638 -170.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.3 p -145.89 133.43 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.571 0.748 . . . . 0.0 112.597 -169.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 46.4 m -103.84 115.13 29.91 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.569 1.548 . . . . 0.0 109.434 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.21 123.38 23.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 165.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -79.41 -23.64 43.07 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 112.314 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 25.7 m -75.95 -47.06 26.63 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.065 1.346 . . . . 0.0 111.026 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.5 m -96.17 -14.57 22.68 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.5 1.12 . . . . 0.0 113.27 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 68.65 19.35 8.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.467 2.307 . . . . 0.0 114.029 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -85.14 164.78 17.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.05 -1.031 . . . . 0.0 112.64 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.7 m -128.48 121.76 29.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.672 1.189 . . . . 0.0 109.3 167.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -133.52 177.71 7.49 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.143 1.777 . . . . 0.0 111.339 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -73.75 -30.87 63.04 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.367 1.067 . . . . 0.0 112.943 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.68 157.38 58.7 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.904 2.082 . . . . 0.0 110.754 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.66 144.74 50.04 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.86 1.707 . . . . 0.0 109.281 172.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.13 154.58 34.2 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.886 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -62.32 -33.06 73.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.259 1.024 . . . . 0.0 111.191 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 13.2 p -64.11 -45.29 89.27 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.723 1.209 . . . . 0.0 111.321 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.6 -35.81 77.85 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.415 1.086 . . . . 0.0 112.34 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.7 -43.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.674 171.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.4 t -69.09 -44.11 73.17 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -79.11 -5.73 54.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.379 . . . . 0.0 112.81 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 57.22 49.83 12.73 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.065 1.746 . . . . 0.0 112.596 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -62.27 155.73 24.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.823 0.849 . . . . 0.0 110.427 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.36 135.94 33.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.501 -0.75 . . . . 0.0 110.403 172.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 150.62 50.68 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -113.02 121.96 46.2 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.16 1.384 . . . . 0.0 110.205 170.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -83.07 147.34 28.18 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.275 1.03 . . . . 0.0 112.212 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -161.38 -173.35 3.77 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.437 1.895 . . . . 0.0 110.338 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -108.28 145.32 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.178 -0.951 . . . . 0.0 111.996 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -148.87 -163.86 11.17 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 126.166 1.841 . . . . 0.0 112.996 -177.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 88.1 t -136.46 138.53 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.196 1.398 . . . . 0.0 110.456 -178.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -115.34 148.37 39.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.279 1.431 . . . . 0.0 114.282 -175.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.77 153.97 44.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.027 2.131 . . . . 0.0 111.028 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -116.7 135.71 53.55 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.135 1.374 . . . . 0.0 111.198 -166.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.05 146.51 50.41 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.88 143.39 51.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.61 1.564 . . . . 0.0 111.976 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.4 t -100.41 147.85 34.14 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 126.594 1.958 . . . . 0.0 110.522 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.31 -19.47 43.02 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 123.634 2.889 . . . . 0.0 116.462 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -75.5 -13.75 60.39 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 120.464 1.484 . . . . 0.0 113.891 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.19 -7.45 32.7 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.876 2.179 . . . . 0.0 114.297 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -65.5 153.29 41.84 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.103 1.452 . . . . 0.0 112.45 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -133.1 147.93 52.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.162 1.785 . . . . 0.0 111.862 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.3 t -154.14 169.42 23.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.573 1.549 . . . . 0.0 111.55 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.1 mt -132.07 144.75 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.14 1.776 . . . . 0.0 108.396 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 14.2 t -140.93 160.63 39.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.386 -0.821 . . . . 0.0 112.197 172.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.6 mt -84.03 -25.54 29.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.146 0.979 . . . . 0.0 111.687 168.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -85.25 165.85 17.0 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.027 1.331 . . . . 0.0 112.407 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -61.13 -12.8 13.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.569 1.547 . . . . 0.0 115.127 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.0 tp -164.49 142.56 5.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.692 2.397 . . . . 0.0 108.558 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.21 176.83 6.57 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 123.203 2.602 . . . . 0.0 110.913 170.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.31 4.62 1.61 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 8.48 43.3 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 -168.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 29.3 m80 73.99 171.41 0.29 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.545 2.338 . . . . 0.0 112.687 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.41 132.72 42.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 111.899 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 5.8 m -71.36 -17.93 62.4 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.873 1.269 . . . . 0.0 113.106 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 -40.61 4.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.818 1.247 . . . . 0.0 112.87 -167.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -123.07 -12.62 7.91 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.48 -8.75 78.57 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.696 1.141 . . . . 0.0 115.857 163.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.66 -167.09 1.37 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.997 1.398 . . . . 0.0 112.789 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.06 90.06 2.4 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.249 1.419 . . . . 0.0 110.292 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -136.36 26.48 3.17 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.566 1.546 . . . . 0.0 113.018 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.77 131.89 47.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.698 1.199 . . . . 0.0 113.124 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -121.21 132.04 54.59 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.754 2.022 . . . . 0.0 109.472 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -68.04 125.61 26.88 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.838 -0.539 . . . . 0.0 110.542 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 21.4 m -109.77 170.25 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.181 1.792 . . . . 0.0 110.984 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 C-N-CA 124.683 1.135 . . . . 0.0 114.621 -172.651 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -142.33 148.4 37.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.127 2.571 . . . . 0.0 107.561 169.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -150.77 149.95 30.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -155.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.2 m -78.63 135.13 37.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.998 0.919 . . . . 0.0 112.729 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 31.6 m -142.03 167.0 23.17 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.449 1.9 . . . . 0.0 110.453 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -73.7 139.31 45.25 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.722 -0.611 . . . . 0.0 110.117 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -137.48 168.85 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 128.606 2.763 . . . . 0.0 109.684 -171.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 13.9 p -137.57 141.91 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 111.508 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 96.1 m -113.01 117.0 30.81 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.053 1.341 . . . . 0.0 108.531 167.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.76 120.14 21.51 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -78.51 -20.92 49.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.317 1.047 . . . . 0.0 112.64 177.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 32.9 m -76.78 -43.78 35.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.445 1.098 . . . . 0.0 111.148 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.15 -17.55 17.35 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.731 1.212 . . . . 0.0 114.234 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 72.51 22.32 3.39 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.452 2.301 . . . . 0.0 113.517 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -88.3 165.33 15.07 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.09 -1.006 . . . . 0.0 112.77 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 135.92 54.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.305 1.442 . . . . 0.0 107.86 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -155.27 174.43 15.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.551 1.14 . . . . 0.0 112.313 -170.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.42 -27.39 52.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.814 0.846 . . . . 0.0 112.305 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -165.4 152.08 9.11 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 127.523 2.329 . . . . 0.0 110.742 -175.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -74.54 155.01 45.22 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.54 2.16 . . . . 0.0 110.538 -177.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -69.3 159.91 32.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.306 1.05 . . . . 0.0 112.381 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -58.26 -38.33 76.71 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.157 0.983 . . . . 0.0 111.121 172.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 6.1 p -69.53 -37.44 77.12 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 112.567 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.2 m -65.96 -41.35 91.35 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.913 0.779 . . . . 0.0 111.566 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.54 -42.91 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.64 0.776 . . . . 0.0 111.031 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.0 t -67.92 -40.1 83.44 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -80.27 -7.59 59.08 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.496 1.118 . . . . 0.0 113.085 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 59.57 49.69 8.18 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.159 1.783 . . . . 0.0 112.323 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -60.34 153.7 22.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.106 0.962 . . . . 0.0 110.635 170.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -85.17 130.25 34.64 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.657 -0.652 . . . . 0.0 110.039 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.12 152.06 49.56 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.811 0.844 . . . . 0.0 113.019 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -117.86 130.79 56.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.179 1.392 . . . . 0.0 110.322 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -99.88 149.14 23.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.811 1.244 . . . . 0.0 112.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -167.02 179.96 4.94 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.48 1.912 . . . . 0.0 110.682 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -95.44 147.9 23.04 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 120.808 -1.182 . . . . 0.0 112.27 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.29 163.54 34.48 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.776 1.655 . . . . 0.0 113.466 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.66 132.66 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.025 0.913 . . . . 0.0 111.24 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -103.13 148.12 26.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.425 1.49 . . . . 0.0 113.255 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.08 149.36 51.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.663 1.985 . . . . 0.0 109.993 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -108.59 151.05 26.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.336 1.054 . . . . 0.0 111.08 -166.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -139.15 149.01 43.97 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.707 0.803 . . . . 0.0 112.535 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -131.4 139.46 49.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.224 1.409 . . . . 0.0 111.751 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.8 t -100.03 148.37 34.75 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 126.405 1.882 . . . . 0.0 110.334 174.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.27 -21.13 50.81 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.554 2.836 . . . . 0.0 115.963 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.7 p -75.81 -10.64 59.6 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 120.281 1.401 . . . . 0.0 114.095 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.44 -8.38 47.93 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.556 2.027 . . . . 0.0 114.493 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -64.33 153.64 37.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.834 1.317 . . . . 0.0 112.368 175.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -129.71 153.06 48.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.995 1.718 . . . . 0.0 111.745 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.6 t -157.07 -178.78 7.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.184 1.394 . . . . 0.0 111.414 169.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.62 146.65 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.894 2.078 . . . . 0.0 108.13 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 12.6 t -136.7 157.79 45.94 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.236 -0.915 . . . . 0.0 111.248 169.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.42 -20.8 29.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.959 0.904 . . . . 0.0 111.701 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.27 169.77 10.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.866 1.666 . . . . 0.0 111.784 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -58.26 -15.62 10.83 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.7 tp -159.32 142.5 10.53 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 126.43 1.892 . . . . 0.0 109.155 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.76 164.66 34.73 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.317 2.678 . . . . 0.0 111.644 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -114.57 -9.69 12.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.544 1.538 . . . . 0.0 114.027 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -88.51 -16.14 33.45 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -153.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.6 m80 70.94 162.29 0.24 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.087 2.155 . . . . 0.0 112.139 -167.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.3 135.58 54.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.602 1.161 . . . . 0.0 112.183 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 26.0 p -83.62 -9.4 58.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.014 1.326 . . . . 0.0 113.718 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 89.3 m -103.0 -46.82 4.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.882 1.273 . . . . 0.0 112.18 -178.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -120.16 -13.88 8.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.62 -11.0 72.06 Favored Glycine 0 N--CA 1.471 0.993 0 C-N-CA 125.086 1.327 . . . . 0.0 116.333 165.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.53 -171.7 3.73 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.016 1.408 . . . . 0.0 113.09 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -128.61 97.54 4.72 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.452 1.501 . . . . 0.0 110.432 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -142.63 29.49 1.55 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.203 1.801 . . . . 0.0 111.886 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -61.33 128.63 37.31 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.231 1.012 . . . . 0.0 112.924 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -107.29 135.37 48.92 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.304 1.842 . . . . 0.0 109.979 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.35 119.57 11.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.145 0.978 . . . . 0.0 110.182 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.09 170.53 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.781 1.232 . . . . 0.0 110.693 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.511 0 C-N-CA 124.07 0.843 . . . . 0.0 114.551 -171.833 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.13 130.37 43.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.435 0.694 . . . . 0.0 109.985 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -143.01 141.23 31.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.346 0.594 . . . . 0.0 112.356 -155.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.8 m -66.26 143.16 57.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.01 0.924 . . . . 0.0 113.193 -175.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.5 t -151.8 161.38 42.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.974 1.31 . . . . 0.0 111.195 -173.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -79.07 140.02 37.98 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 166.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.5 m -143.06 170.39 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.857 2.063 . . . . 0.0 110.21 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.64 140.94 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.404 0.681 . . . . 0.0 112.675 -170.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 98.6 m -115.22 120.45 39.75 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.222 1.409 . . . . 0.0 109.856 171.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.5 t -78.96 124.35 28.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.161 0.984 . . . . 0.0 109.323 166.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -81.63 -18.93 42.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.935 0.894 . . . . 0.0 112.888 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.4 m -79.06 -47.2 16.61 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.741 1.217 . . . . 0.0 111.125 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 65.6 m -94.37 -20.23 19.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.559 1.144 . . . . 0.0 113.427 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 16.1 mttm 78.57 20.21 0.86 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.628 2.371 . . . . 0.0 113.925 166.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -102.94 157.67 16.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.962 1.305 . . . . 0.0 112.442 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.3 m -120.67 132.06 54.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.643 1.577 . . . . 0.0 109.542 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -158.51 -175.89 5.58 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.92 1.688 . . . . 0.0 111.86 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.41 -28.72 64.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.929 1.292 . . . . 0.0 113.359 -175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -157.57 154.48 25.3 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.889 2.076 . . . . 0.0 111.529 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.71 155.15 44.35 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.797 2.332 . . . . 0.0 109.853 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.03 159.19 35.19 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.571 0.7 . . . . 0.0 112.356 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.47 -33.88 74.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.405 -0.809 . . . . 0.0 111.536 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -65.66 -42.27 91.55 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.77 1.228 . . . . 0.0 111.943 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.95 -41.17 95.72 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.264 1.026 . . . . 0.0 111.538 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.58 -45.67 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.802 0.841 . . . . 0.0 111.02 175.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.5 t -70.66 -44.1 67.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.952 0.901 . . . . 0.0 113.191 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -80.41 -5.37 56.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.298 1.039 . . . . 0.0 112.823 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.84 42.27 1.07 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.886 1.674 . . . . 0.0 113.435 166.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -60.92 152.65 26.99 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.553 1.141 . . . . 0.0 110.927 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.45 118.48 24.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.507 0.723 . . . . 0.0 110.024 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.77 151.56 46.55 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.117 0.967 . . . . 0.0 112.535 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -112.89 118.77 35.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.902 1.281 . . . . 0.0 109.804 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -82.92 148.02 27.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.212 1.005 . . . . 0.0 111.257 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -162.77 -176.38 4.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.005 1.722 . . . . 0.0 110.708 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -99.9 148.33 24.58 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.114 0.966 . . . . 0.0 112.567 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.67 -156.77 7.78 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.942 2.211 . . . . 0.0 111.757 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.83 141.61 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.136 1.374 . . . . 0.0 111.509 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -121.01 154.91 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 113.585 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.52 155.42 48.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.092 2.157 . . . . 0.0 110.847 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -117.17 137.8 52.09 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.614 1.566 . . . . 0.0 111.467 -167.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -135.65 150.67 49.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 112.765 -170.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -129.26 145.54 51.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.402 1.881 . . . . 0.0 111.494 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.1 t -97.57 150.79 37.16 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 127.007 2.123 . . . . 0.0 110.967 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.62 -23.33 56.6 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.388 2.725 . . . . 0.0 115.907 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.19 -12.69 60.14 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.14 1.336 . . . . 0.0 114.266 173.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.67 -14.57 35.12 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.751 2.12 . . . . 0.0 114.613 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.52 154.32 21.18 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.878 1.339 . . . . 0.0 112.334 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -129.71 157.61 41.68 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.297 1.439 . . . . 0.0 112.159 -171.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -158.18 174.42 15.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.254 1.422 . . . . 0.0 111.513 170.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.5 mt -137.5 145.13 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 127.122 2.169 . . . . 0.0 107.993 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 16.3 t -142.24 156.77 45.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.086 -1.009 . . . . 0.0 112.069 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.64 -14.06 55.37 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.484 1.114 . . . . 0.0 112.301 166.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -100.91 169.93 8.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.105 1.362 . . . . 0.0 111.469 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -67.12 -5.96 15.58 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -158.85 137.6 7.93 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 126.334 1.853 . . . . 0.0 108.875 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.45 155.27 67.4 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.332 2.688 . . . . 0.0 111.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -17.7 32.64 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 152.33 22.94 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.624 1.57 . . . . 0.0 113.243 -166.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -79.95 164.24 23.66 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.989 0.916 . . . . 0.0 111.617 173.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.25 139.26 58.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.875 1.27 . . . . 0.0 113.263 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 15.8 m -78.97 -16.86 56.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.377 1.071 . . . . 0.0 113.294 174.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.4 m -108.09 -34.98 6.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.73 1.212 . . . . 0.0 112.772 -167.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -128.34 -13.78 4.89 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.04 -5.31 78.71 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 116.477 1.351 . . . . 0.0 116.477 164.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.71 -170.19 2.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.236 1.518 . . . . 0.0 113.082 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -133.04 95.9 3.65 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.366 1.466 . . . . 0.0 110.27 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -140.94 32.17 1.78 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.191 1.796 . . . . 0.0 112.178 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -59.94 140.3 56.8 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.131 0.973 . . . . 0.0 113.209 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -131.1 136.05 48.05 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.747 1.619 . . . . 0.0 109.02 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -73.84 133.2 43.15 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.925 0.49 . . . . 0.0 110.492 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -121.62 176.32 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.478 1.511 . . . . 0.0 111.991 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.756 0 C-N-CA 125.602 1.572 . . . . 0.0 114.147 -178.889 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 CA-C-O 119.688 -0.507 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.61 159.54 45.74 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.185 3.256 . . . . 0.0 111.927 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -76.47 168.08 20.71 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.387 1.075 . . . . 0.0 113.081 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.04 -144.63 17.33 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.597 1.094 . . . . 0.0 112.481 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 66.2 mtt -69.68 149.29 48.22 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.787 2.435 . . . . 0.0 113.427 3.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -90.54 -18.07 25.9 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.23 1.012 . . . . 0.0 112.722 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 35.5 p -91.74 161.53 14.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.289 1.436 . . . . 0.0 113.144 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.94 146.95 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.923 1.289 . . . . 0.0 109.15 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 -61.73 12.62 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 128.826 2.85 . . . . 0.0 117.867 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -170.63 2.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.688 1.195 . . . . 0.0 111.016 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -158.3 144.02 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.597 1.159 . . . . 0.0 110.91 165.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.9 m -78.28 143.99 36.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 110.921 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.6 t -156.77 157.53 35.22 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.387 1.475 . . . . 0.0 110.428 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -75.72 135.62 40.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.546 0.688 . . . . 0.0 110.03 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.87 173.85 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 128.524 2.73 . . . . 0.0 109.766 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.2 p -149.74 136.27 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.603 0.761 . . . . 0.0 111.629 -169.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 94.4 m -105.32 118.73 37.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.517 1.127 . . . . 0.0 108.889 169.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.64 119.92 16.49 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -78.65 -17.44 55.98 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.112 0.965 . . . . 0.0 112.47 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 31.0 m -84.71 -38.61 19.51 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.881 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 63.7 m -102.96 -16.53 15.81 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 70.93 25.89 3.73 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.282 2.233 . . . . 0.0 114.236 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -102.19 155.7 18.04 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.516 1.126 . . . . 0.0 112.436 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.3 m -116.37 137.9 51.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.282 1.433 . . . . 0.0 109.452 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.87 179.4 9.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.769 1.628 . . . . 0.0 111.513 -176.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.33 -28.42 63.05 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.494 1.118 . . . . 0.0 113.211 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -152.27 160.13 31.79 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.624 1.969 . . . . 0.0 111.02 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.89 147.74 50.37 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.157 1.905 . . . . 0.0 109.249 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.11 156.01 37.25 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.368 1.08 . . . . 0.0 111.886 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.8 -35.34 70.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.36 -0.837 . . . . 0.0 111.823 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -66.63 -41.48 88.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.915 1.286 . . . . 0.0 112.256 171.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.65 -34.64 78.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.038 0.935 . . . . 0.0 112.366 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.5 t -71.76 -42.3 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 0.0 111.074 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 75.7 m -72.02 -42.41 66.39 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.263 1.025 . . . . 0.0 113.39 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -78.31 -12.56 60.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.252 1.021 . . . . 0.0 112.289 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.06 45.17 0.72 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.352 1.861 . . . . 0.0 113.287 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -60.4 155.77 17.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.327 1.451 . . . . 0.0 111.319 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -81.75 139.7 34.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.69 -0.631 . . . . 0.0 110.139 171.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.95 148.41 40.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.38 0.672 . . . . 0.0 112.812 175.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -109.56 123.39 49.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.705 1.202 . . . . 0.0 110.247 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -92.16 149.56 21.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.565 1.146 . . . . 0.0 112.582 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -167.29 173.38 8.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.544 1.938 . . . . 0.0 110.63 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -89.01 148.9 23.51 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.729 -1.232 . . . . 0.0 112.237 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.94 -176.87 25.94 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.087 1.803 . . . . 0.0 113.023 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.05 139.14 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.114 1.366 . . . . 0.0 110.004 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -115.3 151.36 34.7 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.929 1.292 . . . . 0.0 114.235 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -122.94 131.13 53.59 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.433 2.293 . . . . 0.0 109.489 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.06 138.14 40.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.696 1.199 . . . . 0.0 112.336 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -133.8 156.41 48.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.185 0.994 . . . . 0.0 113.585 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -138.64 142.68 39.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.147 1.779 . . . . 0.0 111.53 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.5 t -98.57 147.74 33.58 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.462 1.905 . . . . 0.0 110.703 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.76 -21.16 46.63 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 123.732 2.955 . . . . 0.0 116.041 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.0 p -76.92 -12.41 59.95 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 120.357 1.435 . . . . 0.0 113.972 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.87 -9.37 37.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.61 2.052 . . . . 0.0 114.627 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -62.76 152.15 36.61 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.602 1.701 . . . . 0.0 112.035 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -128.53 155.2 45.25 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.814 1.646 . . . . 0.0 112.184 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.6 t -160.0 173.19 16.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.277 1.431 . . . . 0.0 111.436 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 10.5 mt -140.66 144.84 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 127.196 2.199 . . . . 0.0 107.789 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.2 t -140.64 166.16 25.49 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.111 -0.993 . . . . 0.0 111.502 171.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 99.0 mt -88.08 -17.42 31.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.089 0.955 . . . . 0.0 111.944 166.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -92.4 165.63 12.96 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.231 1.412 . . . . 0.0 112.088 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -10.41 20.27 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.887 1.675 . . . . 0.0 115.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -165.03 136.83 3.37 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 126.325 1.85 . . . . 0.0 109.474 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.79 155.3 53.86 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.663 2.242 . . . . 0.0 110.675 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.25 -25.28 22.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -75.0 148.06 40.23 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 112.978 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -72.34 162.86 28.9 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.539 -0.726 . . . . 0.0 111.477 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.0 134.86 54.81 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 112.82 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.6 m -72.4 -16.58 61.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.312 1.045 . . . . 0.0 113.764 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 94.0 m -105.96 -40.23 5.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.877 1.271 . . . . 0.0 112.525 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.7 p -124.18 -12.58 7.38 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.75 -6.09 82.07 Favored Glycine 0 N--CA 1.474 1.219 0 N-CA-C 116.371 1.308 . . . . 0.0 116.371 164.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.29 -172.19 3.53 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.71 1.255 . . . . 0.0 113.045 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -126.38 100.49 6.29 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.353 1.461 . . . . 0.0 110.492 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -145.55 31.26 1.08 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.842 1.657 . . . . 0.0 112.963 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.58 131.31 50.55 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.696 -1.253 . . . . 0.0 112.368 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -116.52 136.73 52.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.582 1.953 . . . . 0.0 109.476 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.92 127.59 33.13 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.787 0.835 . . . . 0.0 110.379 176.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.0 166.72 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 125.725 1.61 . . . . 0.0 111.768 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -86.74 -160.99 35.49 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.784 1.183 . . . . 0.0 115.355 -173.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 16.8 ttt -69.31 150.14 47.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.56 1.544 . . . . 0.0 112.494 -172.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.22 5.13 20.88 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.321 1.448 . . . . 0.0 113.528 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? 69.56 4.91 4.91 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.73 2.412 . . . . 0.0 114.77 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -167.97 144.6 4.08 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.747 2.419 . . . . 0.0 109.846 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -79.15 -31.34 44.0 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 12.6 t -177.75 162.08 1.7 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.228 2.611 . . . . 0.0 110.532 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -92.2 -155.58 31.99 Favored Glycine 0 CA--C 1.544 1.876 0 C-N-CA 126.033 1.778 . . . . 0.0 112.704 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.12 166.16 30.48 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.436 2.757 . . . . 0.0 111.146 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -61.59 131.83 51.35 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.282 0.633 . . . . 0.0 111.943 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 48.7 tp -162.22 149.02 13.52 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.749 1.62 . . . . 0.0 110.842 -170.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 83.52 -168.48 46.05 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.646 1.117 . . . . 0.0 113.675 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 C-N-CA 125.243 1.402 . . . . 0.0 112.885 -178.863 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.384 0 CA-C-O 120.051 -0.305 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.65 -41.61 0.32 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.524 2.816 . . . . 0.0 112.452 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 23.8 ptp 175.18 170.98 0.29 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 128.772 2.829 . . . . 0.0 109.964 -173.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -65.52 149.9 51.68 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 121.573 -0.704 . . . . 0.0 111.953 173.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -7.06 59.08 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.203 2.601 . . . . 0.0 115.459 3.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -70.66 -42.16 71.15 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.964 0.802 . . . . 0.0 111.895 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 66.6 m -77.51 134.02 38.41 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.465 -0.772 . . . . 0.0 111.405 167.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 33.7 mm -109.87 155.9 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.491 1.516 . . . . 0.0 109.385 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -26.57 54.3 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.35 161.15 28.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 113.197 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.37 141.11 20.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.662 0.744 . . . . 0.0 112.196 -171.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 23.6 p -76.77 143.91 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.933 1.293 . . . . 0.0 113.814 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 4.3 m -152.51 164.76 36.95 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.492 1.917 . . . . 0.0 111.176 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -76.63 142.07 40.8 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.768 -0.582 . . . . 0.0 109.836 166.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.57 158.23 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.729 2.011 . . . . 0.0 110.873 -174.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 146.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.259 1.423 . . . . 0.0 110.908 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 60.8 m -118.05 117.72 29.98 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.777 1.231 . . . . 0.0 108.847 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.7 t -74.08 118.11 16.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 167.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -77.48 -23.3 50.39 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.433 1.093 . . . . 0.0 111.762 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 33.2 m -75.84 -47.72 24.45 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.992 1.317 . . . . 0.0 110.893 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 83.9 m -93.72 -17.54 23.08 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.8 23.44 3.63 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.389 2.276 . . . . 0.0 114.713 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -97.87 157.3 16.16 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.167 -0.958 . . . . 0.0 113.151 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 23.5 m -115.86 139.01 50.62 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.208 1.803 . . . . 0.0 109.068 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.08 173.43 16.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.547 1.139 . . . . 0.0 112.625 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -67.71 -28.91 68.07 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.156 0.982 . . . . 0.0 112.969 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -164.99 154.52 11.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.656 1.982 . . . . 0.0 112.07 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.16 154.23 25.12 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.11 2.54 . . . . 0.0 111.037 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -72.89 154.7 40.47 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.129 0.966 . . . . 0.0 112.923 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -59.57 -36.41 76.16 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.142 0.977 . . . . 0.0 111.189 171.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.8 p -68.68 -37.69 79.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.519 1.128 . . . . 0.0 112.679 173.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 63.1 m -66.52 -41.94 88.05 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.919 0.781 . . . . 0.0 111.559 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.66 -43.94 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.056 0.943 . . . . 0.0 111.473 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 21.9 t -70.7 -37.77 73.62 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.28 -1.71 46.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.576 1.15 . . . . 0.0 113.175 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 66.05 37.64 5.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.416 1.886 . . . . 0.0 113.129 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.07 150.62 33.28 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.409 1.084 . . . . 0.0 110.721 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -85.27 137.3 33.07 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.507 0.723 . . . . 0.0 110.424 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 159.91 42.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.119 0.962 . . . . 0.0 113.207 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -131.02 133.63 45.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.472 1.109 . . . . 0.0 111.05 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -93.61 154.35 17.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.415 1.086 . . . . 0.0 112.057 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -164.15 178.96 7.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.937 2.095 . . . . 0.0 110.353 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -92.9 146.35 23.7 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.058 -1.026 . . . . 0.0 111.88 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -150.59 -159.91 9.05 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.705 2.098 . . . . 0.0 112.168 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -151.46 133.27 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.634 1.173 . . . . 0.0 111.056 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -108.18 148.51 29.81 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -138.89 140.51 38.42 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.379 1.871 . . . . 0.0 108.904 -167.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -104.98 136.83 43.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 111.999 -167.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -134.58 155.04 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.888 0.875 . . . . 0.0 113.268 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -136.2 142.86 44.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.94 1.696 . . . . 0.0 111.592 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 39.0 t -101.08 146.66 32.54 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 126.521 1.929 . . . . 0.0 110.199 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -17.28 52.91 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.702 2.934 . . . . 0.0 115.867 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.7 p -75.48 -13.23 60.36 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 120.086 1.312 . . . . 0.0 113.976 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.61 36.91 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 126.676 2.084 . . . . 0.0 114.574 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -65.36 151.13 47.02 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.804 1.302 . . . . 0.0 111.887 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -128.35 156.16 43.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.991 1.716 . . . . 0.0 111.551 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 t -160.03 171.62 19.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.056 1.342 . . . . 0.0 111.34 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -139.79 141.52 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.895 2.078 . . . . 0.0 107.872 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 13.5 t -152.2 165.65 34.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.908 0.861 . . . . 0.0 112.43 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.76 -25.02 21.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.58 1.952 . . . . 0.0 111.585 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.49 160.57 23.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.195 1.398 . . . . 0.0 111.923 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -60.09 -18.75 49.27 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.104 1.362 . . . . 0.0 114.196 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 18.4 tp -154.85 137.52 10.18 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 127.853 2.461 . . . . 0.0 108.106 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.13 151.86 61.63 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.555 2.17 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.64 -25.88 24.65 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.89 152.54 24.48 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 113.779 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -78.99 163.52 25.14 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.647 0.779 . . . . 0.0 111.238 170.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.23 143.24 57.97 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.712 1.205 . . . . 0.0 113.048 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.8 m -87.07 -13.66 43.65 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.046 0.939 . . . . 0.0 113.051 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.1 m -100.48 -39.45 7.94 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.936 1.294 . . . . 0.0 111.956 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.2 p -125.83 -15.28 5.98 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.6 -7.17 74.58 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 125.134 1.349 . . . . 0.0 116.092 166.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.53 -170.8 2.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.11 1.455 . . . . 0.0 113.336 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -132.48 91.58 2.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.608 1.563 . . . . 0.0 110.642 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.33 30.18 1.97 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.134 1.374 . . . . 0.0 112.734 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -56.56 135.82 54.56 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.498 1.119 . . . . 0.0 112.062 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.04 132.54 54.16 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.506 1.922 . . . . 0.0 108.96 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.63 125.9 29.67 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 22.2 m -116.4 168.98 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.245 1.418 . . . . 0.0 111.72 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -71.09 171.0 46.52 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.37 0.986 . . . . 0.0 113.188 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 48.1 ttp -67.12 147.76 52.72 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.24 1.016 . . . . 0.0 111.426 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.33 138.29 58.35 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.112 0.965 . . . . 0.0 111.361 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -111.66 5.99 19.63 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.116 1.366 . . . . 0.0 114.448 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -147.64 151.8 36.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.191 2.196 . . . . 0.0 109.727 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -58.23 140.83 52.38 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 40.9 p -102.01 164.36 11.75 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.095 1.758 . . . . 0.0 112.174 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 158.08 164.1 13.6 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.535 1.54 . . . . 0.0 113.743 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.76 142.19 25.35 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.882 3.054 . . . . 0.0 111.223 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -70.55 -19.14 62.91 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.665 0.786 . . . . 0.0 113.006 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 49.8 tp -74.53 -26.25 59.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.034 1.734 . . . . 0.0 112.137 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 77.03 -149.52 36.15 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.649 1.119 . . . . 0.0 112.248 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.441 0 CA-C-O 118.123 -1.376 . . . . 0.0 113.131 178.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -55.27 146.09 62.84 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 124.268 3.312 . . . . 0.0 113.313 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 48.7 mtt 71.12 3.71 4.77 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 126.539 1.935 . . . . 0.0 114.093 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 65.9 -119.36 13.31 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.417 1.008 . . . . 0.0 111.736 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 97.0 mmm -69.81 -21.26 63.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.997 0.919 . . . . 0.0 113.213 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 73.04 -37.56 0.39 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 128.845 2.858 . . . . 0.0 113.413 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 68.2 p -151.66 148.47 27.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.975 1.31 . . . . 0.0 112.746 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 11.4 mm -124.53 166.6 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 126.464 1.906 . . . . 0.0 109.378 -173.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -72.1 38.92 0.07 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.298 1.439 . . . . 0.0 114.761 171.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -175.28 154.5 1.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 130.432 3.493 . . . . 0.0 109.676 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.66 139.44 22.87 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.447 0.699 . . . . 0.0 112.5 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.5 m -72.76 141.33 48.11 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.844 0.858 . . . . 0.0 112.383 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.1 m -145.17 170.57 15.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.205 1.802 . . . . 0.0 111.218 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -88.24 142.78 27.48 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 160.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.1 m -139.87 167.56 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 127.007 2.123 . . . . 0.0 110.96 -170.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.6 p -137.0 141.88 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.904 1.281 . . . . 0.0 111.134 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -110.64 117.17 32.77 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.996 1.318 . . . . 0.0 108.47 167.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.1 t -71.89 120.8 18.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 166.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.99 -20.63 45.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.895 0.878 . . . . 0.0 112.522 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 30.4 m -76.55 -43.56 38.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.181 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -100.91 -17.48 16.8 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 74.69 18.87 2.67 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.046 2.538 . . . . 0.0 113.979 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -95.33 157.58 15.83 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.791 -1.193 . . . . 0.0 113.188 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 18.8 m -117.38 134.53 54.72 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.78 1.632 . . . . 0.0 109.929 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -157.57 175.23 14.21 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.643 1.577 . . . . 0.0 111.506 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -38.57 71.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.062 -1.024 . . . . 0.0 112.049 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.4 151.35 78.62 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 126.315 1.846 . . . . 0.0 111.49 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.61 149.46 26.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.126 2.55 . . . . 0.0 109.872 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -67.71 158.95 31.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 122.432 1.11 . . . . 0.0 113.327 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -36.51 78.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.54 1.136 . . . . 0.0 111.913 175.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 20.1 p -65.3 -43.04 92.34 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.957 1.303 . . . . 0.0 111.483 172.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -67.96 -40.21 83.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.343 1.057 . . . . 0.0 112.076 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.19 -41.05 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 111.221 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.8 t -70.95 -43.23 68.57 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -78.02 -7.83 57.39 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.628 1.171 . . . . 0.0 112.771 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 58.5 51.99 7.5 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.036 1.734 . . . . 0.0 112.573 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -60.41 155.5 18.01 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.299 1.04 . . . . 0.0 111.068 168.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -83.36 133.93 34.92 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.222 0.609 . . . . 0.0 110.004 172.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.61 44.67 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.799 0.84 . . . . 0.0 112.042 176.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -110.66 129.03 55.92 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.611 1.164 . . . . 0.0 110.216 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -95.11 151.86 18.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.597 1.159 . . . . 0.0 112.211 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -166.52 179.97 5.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.453 1.901 . . . . 0.0 110.948 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -95.99 155.77 16.61 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.989 -1.069 . . . . 0.0 113.05 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.98 -165.36 17.59 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.991 1.758 . . . . 0.0 112.895 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -150.17 133.74 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.323 1.449 . . . . 0.0 111.017 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -100.01 140.99 33.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.235 . . . . 0.0 113.739 -170.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -114.71 146.26 41.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.757 2.823 . . . . 0.0 109.486 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -111.21 130.66 55.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 112.271 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -129.88 149.13 51.75 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.551 1.141 . . . . 0.0 113.795 -174.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -131.6 146.2 52.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.529 1.532 . . . . 0.0 112.024 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 45.2 t -98.28 149.9 36.19 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 127.365 2.266 . . . . 0.0 110.667 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.83 -23.44 50.59 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.181 2.587 . . . . 0.0 115.811 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.6 p -76.53 -13.96 60.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.99 -10.94 31.92 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.895 1.712 . . . . 0.0 114.712 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -68.94 148.25 50.45 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.689 1.245 . . . . 0.0 111.651 174.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -135.58 157.04 47.86 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.981 1.312 . . . . 0.0 112.584 -172.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -155.11 170.65 21.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.014 1.325 . . . . 0.0 111.992 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.9 mt -139.72 140.27 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.294 1.838 . . . . 0.0 108.351 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.0 t -156.82 176.78 12.29 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.263 1.425 . . . . 0.0 110.592 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.23 -25.1 14.99 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.611 1.165 . . . . 0.0 111.988 -172.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.41 166.58 12.8 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.07 1.0 3.89 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -178.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 13.2 tp -158.39 137.82 8.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.179 1.791 . . . . 0.0 109.137 166.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -71.47 162.11 43.35 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.383 2.722 . . . . 0.0 111.505 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -12.14 35.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -173.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.38 152.28 25.54 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.389 1.476 . . . . 0.0 113.864 -169.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.03 163.56 26.56 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 111.965 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 45.5 t -60.87 135.96 57.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.919 1.287 . . . . 0.0 112.88 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.9 m -77.09 -17.4 58.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.322 1.049 . . . . 0.0 113.166 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 90.3 m -103.6 -33.63 8.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.536 1.134 . . . . 0.0 112.449 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.81 -13.13 3.29 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.78 -7.62 73.91 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 116.485 1.354 . . . . 0.0 116.485 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -173.36 4.1 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.004 1.402 . . . . 0.0 113.241 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.78 85.34 2.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.833 1.653 . . . . 0.0 110.241 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.89 33.77 3.16 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.557 1.543 . . . . 0.0 112.512 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -59.12 138.71 57.45 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.965 1.306 . . . . 0.0 113.101 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -127.82 136.94 52.13 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.98 1.712 . . . . 0.0 110.32 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -65.49 121.85 15.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.984 0.913 . . . . 0.0 110.318 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.9 171.41 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.868 1.667 . . . . 0.0 111.104 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -77.2 -174.99 41.79 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 123.558 0.599 . . . . 0.0 113.929 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 28.0 ttt -57.6 142.13 45.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.386 1.074 . . . . 0.0 111.759 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.0 120.46 17.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.997 0.919 . . . . 0.0 110.111 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 6.38 48.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.308 1.443 . . . . 0.0 114.337 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -67.05 139.81 57.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.206 1.402 . . . . 0.0 111.811 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.23 165.93 24.32 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.187 1.395 . . . . 0.0 113.95 -175.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 28.5 m 89.39 137.56 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 129.578 3.151 . . . . 0.0 110.774 171.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -175.89 175.8 47.42 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.248 1.404 . . . . 0.0 113.331 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.46 140.69 37.01 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 123.796 2.998 . . . . 0.0 111.485 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -88.17 -10.89 48.47 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 96.3 mt -126.58 165.44 19.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.769 2.028 . . . . 0.0 111.672 -175.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -85.34 -154.78 23.39 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.155 1.36 . . . . 0.0 113.175 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.26 0 CA-C-O 117.636 -1.647 . . . . 0.0 113.847 -179.012 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 CA-C-O 119.447 -0.64 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.31 -17.15 21.69 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.943 3.095 . . . . 0.0 113.862 -175.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 26.1 mmt -81.03 -0.73 40.99 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.75 161.07 54.3 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.709 1.147 . . . . 0.0 113.671 178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.41 139.23 57.98 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.566 0.746 . . . . 0.0 111.876 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -116.22 13.79 15.74 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.538 1.535 . . . . 0.0 112.03 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 8.5 t -158.06 179.02 9.57 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.487 1.515 . . . . 0.0 111.482 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 758' ' ' ILE . 3.1 mp -79.03 143.88 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.318 1.447 . . . . 0.0 110.457 -176.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -76.56 46.91 0.46 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 126.396 1.878 . . . . 0.0 115.217 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.39 157.83 28.49 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.848 2.459 . . . . 0.0 111.048 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.73 140.1 23.33 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.533 0.733 . . . . 0.0 112.631 -168.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 20.9 m -74.29 149.69 40.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.124 0.97 . . . . 0.0 113.132 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.4 t -159.58 165.47 32.77 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.194 1.398 . . . . 0.0 111.512 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -77.01 141.91 40.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.501 -0.749 . . . . 0.0 110.362 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.98 162.69 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.446 1.898 . . . . 0.0 110.582 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.0 p -125.37 139.38 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 125.534 1.534 . . . . 0.0 110.187 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.9 m -107.17 115.43 30.17 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.118 0.967 . . . . 0.0 108.729 163.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.46 118.31 17.27 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -79.31 -23.14 43.72 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 112.171 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.6 m -75.18 -42.14 56.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.767 1.227 . . . . 0.0 111.579 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.22 -16.88 19.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.917 1.287 . . . . 0.0 113.971 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.9 mptt 67.06 57.53 0.61 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.248 2.219 . . . . 0.0 112.966 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.34 158.38 43.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.549 1.139 . . . . 0.0 112.84 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.0 m -113.5 131.81 55.92 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.81 1.644 . . . . 0.0 110.303 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -154.91 177.56 11.16 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.908 1.683 . . . . 0.0 112.246 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.98 -34.53 77.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.84 1.256 . . . . 0.0 113.255 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -159.69 155.54 22.98 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.137 1.775 . . . . 0.0 112.399 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.49 157.34 32.59 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.591 2.194 . . . . 0.0 110.657 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -73.28 158.94 34.18 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.819 0.819 . . . . 0.0 112.074 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.87 -35.55 76.88 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.677 -0.639 . . . . 0.0 111.62 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 16.7 p -65.43 -41.89 93.05 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.684 1.193 . . . . 0.0 112.122 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.6 -41.53 96.16 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 112.128 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.02 -42.3 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.325 0.65 . . . . 0.0 111.601 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 26.0 t -71.01 -43.79 67.21 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -77.97 -9.9 59.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.21 1.004 . . . . 0.0 112.818 172.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 69.19 48.5 0.66 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.37 1.868 . . . . 0.0 112.689 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.25 155.48 11.43 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.051 1.34 . . . . 0.0 110.966 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.21 137.85 33.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.684 0.794 . . . . 0.0 110.072 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.86 152.64 40.59 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -113.08 126.05 55.04 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 109.287 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -91.46 145.96 24.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.328 1.051 . . . . 0.0 111.414 171.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -165.15 -179.73 5.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 111.47 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -96.04 151.59 19.31 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.16 -0.962 . . . . 0.0 111.863 173.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.58 -163.45 11.82 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 126.612 2.053 . . . . 0.0 112.051 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.78 131.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.235 1.414 . . . . 0.0 110.59 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -100.75 146.72 26.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 42.1 mtt85 -138.45 136.56 36.33 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 127.397 2.279 . . . . 0.0 109.282 -163.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.04 131.55 53.96 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.162 0.985 . . . . 0.0 111.564 -164.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -128.9 155.45 45.26 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 113.08 -174.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -134.98 142.25 46.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.81 2.044 . . . . 0.0 111.602 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.45 148.19 34.22 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.402 1.881 . . . . 0.0 110.362 171.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -58.2 -18.42 37.04 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.308 2.672 . . . . 0.0 116.237 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.3 p -77.67 -10.63 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 120.193 1.36 . . . . 0.0 114.261 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.09 -4.57 45.19 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 126.722 2.106 . . . . 0.0 114.79 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -68.61 155.64 39.63 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.797 1.299 . . . . 0.0 111.853 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -128.81 155.68 44.79 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.855 1.662 . . . . 0.0 112.465 -171.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -158.96 172.23 18.59 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.834 1.653 . . . . 0.0 111.416 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.2 mt -138.21 141.28 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.046 1.738 . . . . 0.0 108.447 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 33.3 t -145.62 164.66 31.02 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.161 0.984 . . . . 0.0 111.559 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.72 -10.06 32.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.182 1.793 . . . . 0.0 111.498 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -109.1 174.15 6.0 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.816 2.046 . . . . 0.0 111.271 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -62.71 -10.95 14.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.664 1.586 . . . . 0.0 114.972 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.2 tp -158.29 142.5 11.47 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.242 1.817 . . . . 0.0 109.708 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.6 156.75 57.26 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.428 2.752 . . . . 0.0 111.256 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -16.14 30.44 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -174.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 151.53 22.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 113.892 -162.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -76.99 155.14 32.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.855 0.862 . . . . 0.0 111.27 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.22 141.37 58.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.863 1.265 . . . . 0.0 112.809 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 7.9 t -82.77 -20.42 35.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.229 1.012 . . . . 0.0 112.895 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -97.21 -37.77 9.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.061 1.344 . . . . 0.0 112.428 -171.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.1 p -129.83 -13.0 4.21 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.851 1.796 . . . . 0.0 115.851 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.12 -11.55 69.18 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.759 1.171 . . . . 0.0 116.007 164.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.35 -168.2 2.13 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.083 1.441 . . . . 0.0 113.622 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -136.8 95.2 3.09 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.94 1.696 . . . . 0.0 110.49 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -143.13 31.57 1.38 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.641 1.576 . . . . 0.0 112.367 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -60.14 142.72 53.83 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.419 1.088 . . . . 0.0 113.325 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -130.15 135.93 48.72 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 126.759 2.024 . . . . 0.0 110.077 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.07 130.35 43.05 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.568 0.747 . . . . 0.0 110.366 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.77 175.05 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.442 1.497 . . . . 0.0 110.459 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -81.69 178.24 53.78 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-O 122.603 1.113 . . . . 0.0 114.839 -173.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -76.87 147.63 36.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.415 1.486 . . . . 0.0 110.704 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.86 104.54 4.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.65 1.18 . . . . 0.0 111.236 -168.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -82.76 -1.94 52.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.931 1.293 . . . . 0.0 114.294 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -148.31 73.16 1.23 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.047 2.139 . . . . 0.0 109.169 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -70.63 146.02 50.29 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.521 1.128 . . . . 0.0 113.26 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 36.1 p -83.33 157.05 22.72 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.633 1.573 . . . . 0.0 111.492 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -110.34 159.41 13.9 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.009 1.29 . . . . 0.0 113.146 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.53 159.4 42.94 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.901 3.068 . . . . 0.0 111.204 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -80.29 -12.37 59.62 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 48.1 tp -158.17 149.15 20.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.322 1.849 . . . . 0.0 110.273 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -82.85 -167.74 41.54 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.208 1.385 . . . . 0.0 113.816 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.2 0 C-N-CA 125.425 1.488 . . . . 0.0 113.036 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 CA-C-O 119.055 -0.858 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.9 148.83 46.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.834 3.023 . . . . 0.0 111.919 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.33 -11.99 16.85 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.763 1.225 . . . . 0.0 113.382 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -66.69 -16.02 65.12 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.682 1.134 . . . . 0.0 114.853 -172.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -72.11 -10.49 59.86 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.707 1.603 . . . . 0.0 113.526 171.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 84.89 -25.42 0.12 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 129.946 3.299 . . . . 0.0 113.073 173.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 38.3 m -73.32 145.37 46.06 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.467 1.107 . . . . 0.0 112.691 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.43 142.99 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.589 1.556 . . . . 0.0 108.807 174.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -77.27 29.21 0.14 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -158.96 153.5 24.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.058 2.543 . . . . 0.0 110.29 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.51 146.89 31.62 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.523 0.729 . . . . 0.0 111.748 -164.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.2 m -74.39 149.83 40.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.069 0.947 . . . . 0.0 113.095 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.05 170.91 21.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.849 1.26 . . . . 0.0 112.481 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -84.78 141.32 30.59 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 0.0 109.387 164.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.58 167.8 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.39 1.876 . . . . 0.0 110.984 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.8 p -144.52 129.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.609 1.164 . . . . 0.0 111.542 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 55.1 m -96.98 116.23 28.82 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.649 1.179 . . . . 0.0 108.748 168.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.7 117.04 16.09 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.17 -23.6 60.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.923 1.289 . . . . 0.0 111.932 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.8 m -79.05 -42.12 27.18 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.053 1.341 . . . . 0.0 111.781 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.5 -16.67 16.73 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.703 1.201 . . . . 0.0 113.833 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 68.6 49.38 0.74 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.856 2.062 . . . . 0.0 113.033 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -135.32 162.23 33.18 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.459 1.503 . . . . 0.0 112.302 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.4 m -116.41 124.43 50.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.642 1.177 . . . . 0.0 110.727 173.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -126.68 177.52 6.49 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.766 2.027 . . . . 0.0 110.602 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.23 -37.6 72.01 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.396 1.078 . . . . 0.0 111.53 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -142.73 154.11 62.25 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.008 2.123 . . . . 0.0 111.215 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.24 152.38 35.06 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.679 2.252 . . . . 0.0 109.779 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -76.93 159.99 29.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.482 1.134 . . . . 0.0 111.968 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.45 -37.95 79.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.813 0.845 . . . . 0.0 111.563 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.5 p -67.4 -40.94 85.63 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.855 1.262 . . . . 0.0 111.63 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.44 -42.69 95.84 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.233 0.924 . . . . 0.0 111.581 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.11 -43.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.77 0.828 . . . . 0.0 111.113 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.3 t -67.67 -39.54 84.48 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -80.42 -5.75 56.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.062 1.345 . . . . 0.0 112.961 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 65.31 42.41 3.93 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.244 1.818 . . . . 0.0 112.648 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -60.13 150.65 29.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.218 1.007 . . . . 0.0 110.381 171.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -87.05 142.31 28.02 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 110.74 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.46 152.78 44.53 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.309 0.644 . . . . 0.0 112.596 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -110.77 124.82 52.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 109.202 166.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -90.67 148.25 22.74 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.207 1.003 . . . . 0.0 111.873 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -166.46 -170.97 1.78 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.973 2.109 . . . . 0.0 110.622 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -109.72 154.04 23.46 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.696 -1.253 . . . . 0.0 112.887 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.05 -169.51 21.73 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.957 1.741 . . . . 0.0 113.294 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 68.8 t -132.62 132.01 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.219 1.408 . . . . 0.0 110.134 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -102.48 150.69 23.13 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.746 1.218 . . . . 0.0 113.903 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -142.59 139.26 31.27 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.865 2.066 . . . . 0.0 110.382 -160.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -112.32 132.32 55.04 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.329 1.052 . . . . 0.0 112.102 -162.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -132.0 152.96 50.83 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.139 0.975 . . . . 0.0 113.489 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.59 145.46 44.95 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.085 1.754 . . . . 0.0 112.233 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 47.3 t -104.58 148.92 36.82 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 127.299 2.24 . . . . 0.0 110.192 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.11 -19.58 49.83 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.671 2.914 . . . . 0.0 116.115 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.02 -12.44 60.33 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 120.178 1.354 . . . . 0.0 113.95 172.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.24 -7.38 47.5 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.471 1.986 . . . . 0.0 114.602 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -70.77 149.89 46.42 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.184 1.492 . . . . 0.0 112.186 174.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -134.44 160.94 36.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.919 1.287 . . . . 0.0 112.648 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -155.97 174.31 15.52 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.532 1.533 . . . . 0.0 111.597 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.1 mt -134.36 142.54 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.398 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.4 t -140.14 166.88 23.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.629 1.172 . . . . 0.0 111.387 173.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.5 mt -88.07 -18.3 29.22 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.186 0.994 . . . . 0.0 111.865 167.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.05 166.13 14.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.227 1.411 . . . . 0.0 112.455 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -65.52 -10.69 36.94 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.6 tp -164.73 137.94 3.88 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 127.694 2.398 . . . . 0.0 108.824 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.22 156.44 51.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 123.063 2.509 . . . . 0.0 110.547 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -87.68 -27.0 22.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -80.72 153.15 28.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.822 1.249 . . . . 0.0 113.057 -165.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -74.94 162.38 28.66 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.482 -0.761 . . . . 0.0 111.929 167.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.97 135.49 55.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.019 1.328 . . . . 0.0 112.727 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 29.3 m -74.89 -13.83 60.59 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.338 1.055 . . . . 0.0 113.378 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -103.49 -42.2 5.76 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.381 1.072 . . . . 0.0 112.251 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.8 p -123.29 -14.39 7.46 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.78 -5.62 79.56 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.439 1.335 . . . . 0.0 116.439 166.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -173.33 3.75 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.28 1.54 . . . . 0.0 112.653 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -125.42 103.03 7.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.962 1.305 . . . . 0.0 110.137 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -146.46 31.22 0.99 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.147 1.779 . . . . 0.0 112.603 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -60.51 139.46 57.74 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.314 -0.866 . . . . 0.0 112.661 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -130.53 135.86 48.35 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.25 1.82 . . . . 0.0 109.922 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.03 128.36 35.43 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.033 0.533 . . . . 0.0 110.409 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -122.04 172.09 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.306 1.442 . . . . 0.0 110.837 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -80.76 -177.82 51.74 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.686 1.136 . . . . 0.0 114.156 -176.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.51 144.36 54.64 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.847 1.259 . . . . 0.0 112.333 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.29 150.89 24.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.516 1.126 . . . . 0.0 111.666 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -115.83 145.34 42.93 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.945 1.298 . . . . 0.0 110.473 167.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -158.1 157.77 33.44 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.6 1.56 . . . . 0.0 111.435 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.34 167.23 22.05 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.243 1.817 . . . . 0.0 112.472 -176.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 24.8 p -126.74 151.11 48.63 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.087 1.755 . . . . 0.0 111.312 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -94.29 -115.11 2.63 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.625 1.584 . . . . 0.0 111.608 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.21 149.03 69.9 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.284 2.656 . . . . 0.0 111.334 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -65.15 -24.61 67.45 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 33.7 tp -97.46 -19.04 18.68 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.995 1.718 . . . . 0.0 112.887 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 80.23 -141.09 22.8 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.173 0.892 . . . . 0.0 111.584 -169.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.425 0 CA-C-O 118.387 -1.229 . . . . 0.0 113.476 177.308 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 CA-C-O 119.262 -0.743 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.87 158.17 21.73 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.834 3.689 . . . . 0.0 113.938 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -65.06 -19.37 65.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.697 1.199 . . . . 0.0 113.372 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.97 -11.31 69.76 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.839 1.209 . . . . 0.0 114.572 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -81.14 -3.75 53.11 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.189 1.395 . . . . 0.0 113.32 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -133.48 175.68 9.2 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.524 1.53 . . . . 0.0 110.982 175.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 9.6 t -154.58 156.24 36.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.535 1.134 . . . . 0.0 111.957 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -143.51 147.64 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 126.567 1.947 . . . . 0.0 108.818 -176.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 759' ' ' ARG . . . . . 0.528 ' H ' ' HD3' ' A' ' 759' ' ' ARG . 0.0 OUTLIER -56.03 -44.57 78.86 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.486 0.714 . . . . 0.0 112.525 173.629 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -74.55 140.33 44.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.103 1.361 . . . . 0.0 110.84 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.77 131.32 8.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.76 0.824 . . . . 0.0 109.634 -162.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.7 p -78.2 142.53 37.87 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.834 0.826 . . . . 0.0 112.283 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.8 t -158.5 157.17 31.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.004 1.322 . . . . 0.0 110.438 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -72.96 130.09 39.58 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.902 -0.499 . . . . 0.0 110.093 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.87 158.79 19.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 127.722 2.409 . . . . 0.0 110.296 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.1 p -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.785 1.634 . . . . 0.0 110.845 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 91.4 m -126.46 111.46 14.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 109.36 168.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 30.2 t -75.29 118.06 17.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.762 0.825 . . . . 0.0 109.855 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -83.8 -14.97 50.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.358 1.463 . . . . 0.0 112.501 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.3 m -81.42 -43.45 18.91 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.818 1.247 . . . . 0.0 111.242 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -97.55 -24.17 15.68 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 72.07 65.79 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.456 2.302 . . . . 0.0 112.317 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -146.72 157.05 43.6 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.243 1.017 . . . . 0.0 113.277 170.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.7 m -113.17 137.47 51.41 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.093 1.757 . . . . 0.0 109.044 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.71 172.16 19.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.383 1.073 . . . . 0.0 111.239 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.96 89.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.746 0.818 . . . . 0.0 111.542 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -150.63 151.49 30.69 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.913 2.085 . . . . 0.0 110.103 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -76.67 161.41 33.86 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.423 2.749 . . . . 0.0 110.97 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -69.64 156.48 38.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.775 0.798 . . . . 0.0 112.076 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.57 -37.08 82.56 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.462 -0.774 . . . . 0.0 111.614 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 15.3 p -61.9 -43.43 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.582 1.153 . . . . 0.0 112.195 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 60.8 m -62.8 -39.68 95.01 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.74 0.816 . . . . 0.0 112.224 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 92.3 t -69.66 -45.73 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.827 0.851 . . . . 0.0 111.11 176.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -36.38 75.52 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.43 1.014 . . . . 0.0 113.244 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -79.66 -7.27 58.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.815 0.846 . . . . 0.0 112.611 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 55.99 52.94 9.79 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.174 1.79 . . . . 0.0 112.174 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -60.77 157.3 15.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.237 1.015 . . . . 0.0 111.329 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -81.34 130.91 35.23 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.263 0.625 . . . . 0.0 110.122 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.65 151.02 35.47 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -108.93 142.66 39.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.61 1.164 . . . . 0.0 110.09 168.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -115.63 146.4 41.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.021 1.328 . . . . 0.0 111.66 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -164.07 171.28 15.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.349 1.459 . . . . 0.0 111.232 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -81.52 141.12 34.1 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.217 -0.927 . . . . 0.0 111.616 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -142.21 -169.28 12.07 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 127.005 2.241 . . . . 0.0 111.757 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -148.33 138.91 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.513 1.525 . . . . 0.0 110.5 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -107.14 150.53 26.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.074 1.35 . . . . 0.0 114.568 -166.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -120.22 145.93 46.53 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.213 2.605 . . . . 0.0 110.168 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -119.84 136.39 54.5 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.474 1.109 . . . . 0.0 112.298 -168.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -136.89 157.95 45.58 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.235 1.014 . . . . 0.0 113.213 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -138.89 146.24 40.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.538 . . . . 0.0 111.744 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.37 148.82 35.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.855 2.062 . . . . 0.0 110.697 175.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.12 -21.18 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 124.052 3.168 . . . . 0.0 116.113 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.98 -11.34 59.94 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 120.442 1.474 . . . . 0.0 114.093 172.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.7 -9.43 40.8 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.449 1.975 . . . . 0.0 114.481 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.47 157.05 30.55 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 1.399 . . . . 0.0 112.271 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -125.69 158.66 34.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.892 1.677 . . . . 0.0 112.03 -174.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.2 t -156.61 169.75 23.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.376 1.47 . . . . 0.0 111.136 170.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.2 mt -143.98 143.14 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 126.529 1.931 . . . . 0.0 108.288 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -154.97 169.42 24.11 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.884 0.849 . . . . 0.0 112.523 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -97.69 -10.21 25.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.87 1.668 . . . . 0.0 111.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -97.42 169.66 9.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.019 1.728 . . . . 0.0 111.405 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -12.22 58.01 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 17.3 tp -155.85 138.62 10.53 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 126.895 2.078 . . . . 0.0 108.622 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.66 152.22 64.49 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.097 2.531 . . . . 0.0 111.66 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -22.36 28.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -171.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.24 160.51 17.56 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.84 163.5 26.71 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.693 1.197 . . . . 0.0 112.429 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.63 133.89 56.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.383 1.073 . . . . 0.0 112.135 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.7 p -81.31 -8.84 59.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.92 1.288 . . . . 0.0 113.595 175.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.4 m -105.43 -41.39 5.52 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.935 1.294 . . . . 0.0 112.149 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -126.5 -12.95 6.09 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.66 -8.68 74.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.014 1.292 . . . . 0.0 116.131 164.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.41 -170.23 2.94 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.071 1.436 . . . . 0.0 113.259 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -132.81 101.56 5.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.525 1.53 . . . . 0.0 109.995 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -145.49 30.93 1.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.979 1.711 . . . . 0.0 112.13 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -62.71 137.99 58.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.27 1.028 . . . . 0.0 113.27 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -124.64 139.79 53.54 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.107 1.763 . . . . 0.0 109.312 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -65.32 130.87 44.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.428 1.091 . . . . 0.0 110.31 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -141.98 -173.17 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.147 1.379 . . . . 0.0 111.002 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -77.64 -164.56 23.17 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.567 1.08 . . . . 0.0 114.321 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 5.0 ttp -70.75 -170.34 0.41 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.565 1.146 . . . . 0.0 112.957 -173.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -83.11 140.24 32.75 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.833 -1.167 . . . . 0.0 110.399 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -103.03 124.04 47.77 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.74 1.216 . . . . 0.0 111.153 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -145.15 146.48 31.79 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.612 1.965 . . . . 0.0 110.196 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -67.9 140.86 56.51 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.918 0.887 . . . . 0.0 112.404 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 6.8 t -170.32 175.01 5.02 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.361 2.265 . . . . 0.0 110.417 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -81.49 -167.04 37.88 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.311 1.434 . . . . 0.0 114.098 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.18 -5.12 16.5 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 124.042 3.161 . . . . 0.0 113.96 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 154.16 39.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.239 1.416 . . . . 0.0 112.354 175.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.14 163.82 26.71 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.571 1.149 . . . . 0.0 112.75 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 78.56 -165.18 51.29 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.454 1.026 . . . . 0.0 113.751 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 CA-C-O 118.173 -1.348 . . . . 0.0 112.811 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 CA-C-O 119.204 -0.775 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -74.73 172.77 15.6 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 124.031 3.154 . . . . 0.0 112.105 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.95 -9.1 57.27 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.692 1.197 . . . . 0.0 113.773 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 76.27 -156.01 46.42 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.496 1.522 . . . . 0.0 113.245 173.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 77.0 mtm -87.65 -12.55 45.15 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.077 0.951 . . . . 0.0 113.113 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -80.29 -26.82 38.68 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.325 1.05 . . . . 0.0 112.569 -175.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 8.9 t -155.44 159.27 39.7 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.689 1.196 . . . . 0.0 111.721 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.28 147.91 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 125.485 1.514 . . . . 0.0 109.123 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -64.64 -26.62 68.47 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -171.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.52 160.0 17.68 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.465 1.506 . . . . 0.0 112.329 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -148.69 143.92 26.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.666 0.746 . . . . 0.0 112.834 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.4 m -76.8 153.31 35.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.956 0.902 . . . . 0.0 113.189 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.0 p -160.43 174.7 13.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.464 1.506 . . . . 0.0 112.411 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -88.88 137.51 32.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.65 0.78 . . . . 0.0 109.124 165.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.28 165.53 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.563 1.945 . . . . 0.0 110.112 -172.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.7 135.55 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.066 0.946 . . . . 0.0 111.95 -172.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 50.6 m -104.84 119.93 40.19 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.484 1.113 . . . . 0.0 108.333 167.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.34 116.26 13.68 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 164.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -76.03 -21.96 56.26 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.081 0.952 . . . . 0.0 112.332 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -71.0 -47.93 56.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.989 1.315 . . . . 0.0 110.946 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.39 -20.63 18.95 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? 74.35 17.17 3.24 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 128.511 2.724 . . . . 0.0 115.116 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -94.33 158.15 15.71 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 120.67 -1.269 . . . . 0.0 112.224 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.3 m -125.5 137.73 53.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.032 1.333 . . . . 0.0 110.474 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.56 -172.47 2.92 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.769 1.628 . . . . 0.0 111.504 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.11 -27.11 62.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.887 1.275 . . . . 0.0 113.444 -172.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -159.14 154.59 22.39 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.469 1.908 . . . . 0.0 112.065 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.48 147.61 41.34 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.735 2.29 . . . . 0.0 110.664 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.5 159.65 33.59 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.39 -35.77 74.55 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.473 -0.767 . . . . 0.0 112.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 8.8 p -67.23 -41.56 85.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.272 1.029 . . . . 0.0 112.038 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.4 -38.47 84.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.337 1.055 . . . . 0.0 111.65 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.3 t -70.04 -43.4 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.022 0.929 . . . . 0.0 111.279 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.8 t -68.98 -41.61 77.64 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.144 0.884 . . . . 0.0 113.267 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -80.62 -9.99 59.76 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.888 0.875 . . . . 0.0 113.052 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.92 52.88 5.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.211 1.804 . . . . 0.0 112.417 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -60.34 157.16 14.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.189 0.996 . . . . 0.0 110.51 169.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -89.11 120.44 30.51 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.215 0.606 . . . . 0.0 109.951 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.18 147.09 46.07 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.132 0.973 . . . . 0.0 112.063 177.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -110.13 124.96 52.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.821 1.248 . . . . 0.0 110.213 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -89.35 149.96 22.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.25 1.02 . . . . 0.0 112.268 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -161.97 -177.55 5.87 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.797 2.039 . . . . 0.0 110.826 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -94.72 148.09 22.65 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.802 -1.186 . . . . 0.0 112.867 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -154.85 -170.04 20.12 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 126.181 1.848 . . . . 0.0 112.835 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.0 t -137.32 136.81 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.33 1.452 . . . . 0.0 109.923 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -107.11 145.07 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.18 1.392 . . . . 0.0 113.01 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.32 150.59 49.52 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.867 . . . . 0.0 110.052 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -113.23 141.85 46.49 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.405 1.482 . . . . 0.0 112.09 -168.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.96 149.49 47.59 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.265 1.026 . . . . 0.0 113.271 -170.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -123.46 144.22 49.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.989 2.116 . . . . 0.0 111.937 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 35.1 t -97.58 152.34 38.12 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.634 1.974 . . . . 0.0 111.082 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -56.75 -24.93 57.97 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.083 2.522 . . . . 0.0 115.482 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.78 -11.33 60.13 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.36 -11.68 51.15 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 126.383 1.944 . . . . 0.0 114.579 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -61.89 156.23 21.35 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.507 1.154 . . . . 0.0 112.579 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -131.08 152.73 50.07 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.101 1.36 . . . . 0.0 111.534 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -158.08 177.44 11.31 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.615 1.166 . . . . 0.0 112.336 173.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.5 142.96 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 126.531 1.932 . . . . 0.0 109.325 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.0 t -140.15 161.22 38.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.755 0.822 . . . . 0.0 111.039 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 78.7 mt -85.99 -17.26 35.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.804 0.842 . . . . 0.0 112.195 165.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -95.46 170.84 9.08 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.383 0.992 . . . . 0.0 111.4 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -63.43 -9.85 14.48 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.3 tp -160.08 149.77 14.55 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.555 1.942 . . . . 0.0 109.363 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.28 176.93 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 124.695 3.597 . . . . 0.0 113.562 169.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 8.79 1.0 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.87 1.668 . . . . 0.0 113.192 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -100.08 -18.65 16.88 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -158.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 66.6 m80 71.6 152.47 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.237 2.615 . . . . 0.0 113.241 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.0 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.252 1.421 . . . . 0.0 112.634 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 42.0 p -85.55 -10.5 55.86 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.053 1.341 . . . . 0.0 113.917 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 53.2 m -104.66 -42.17 5.48 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.741 1.216 . . . . 0.0 112.487 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -123.48 -12.26 7.76 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.98 -10.16 75.05 Favored Glycine 0 N--CA 1.479 1.521 0 C-N-CA 125.595 1.569 . . . . 0.0 115.935 164.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 -169.02 2.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.934 1.367 . . . . 0.0 113.049 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -131.08 106.52 8.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.989 1.316 . . . . 0.0 110.464 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -146.8 29.16 1.01 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.145 1.778 . . . . 0.0 112.212 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -60.89 145.66 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.729 -1.232 . . . . 0.0 114.133 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -132.4 140.67 48.56 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.0 2.12 . . . . 0.0 109.007 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -70.74 136.61 49.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.835 -0.54 . . . . 0.0 111.006 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.96 176.56 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.393 1.477 . . . . 0.0 111.847 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -77.76 -172.78 39.36 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.013 1.292 . . . . 0.0 115.816 -174.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 27.0 ttt -66.59 147.85 52.71 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.682 1.593 . . . . 0.0 112.617 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 9.9 mp -70.3 127.02 31.35 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.211 1.004 . . . . 0.0 109.896 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -90.81 -0.14 57.63 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.14 151.17 9.9 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.58 2.352 . . . . 0.0 110.116 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.24 -21.35 65.74 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 26.9 m -71.9 -24.12 61.6 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.276 1.831 . . . . 0.0 112.39 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 76.63 178.89 46.8 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.613 1.578 . . . . 0.0 112.657 -170.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.58 151.56 53.7 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.797 2.998 . . . . 0.0 112.267 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -152.37 156.13 38.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.121 0.968 . . . . 0.0 112.984 -172.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 75.4 mt -78.9 -17.74 55.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.693 1.197 . . . . 0.0 113.598 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -177.86 -168.17 37.03 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.843 1.211 . . . . 0.0 114.077 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.345 0 C-N-CA 125.672 1.606 . . . . 0.0 113.668 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.99 153.09 53.82 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 124.967 3.778 . . . . 0.0 113.111 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 98.8 mmm -87.13 147.58 25.58 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.241 1.016 . . . . 0.0 112.135 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 171.95 166.59 30.85 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.548 1.071 . . . . 0.0 113.793 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 99.6 mmm -93.96 151.0 19.86 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.828 1.251 . . . . 0.0 112.561 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -97.89 167.75 10.73 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.844 1.258 . . . . 0.0 110.743 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 5.8 t -158.15 178.7 9.9 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.091 -1.005 . . . . 0.0 112.525 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 17.6 mm -106.36 158.63 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 126.627 1.971 . . . . 0.0 110.842 -173.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -70.48 21.15 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 116.088 1.885 . . . . 0.0 116.088 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -139.84 155.31 47.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.884 2.074 . . . . 0.0 109.766 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -139.29 141.05 37.77 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.283 0.633 . . . . 0.0 112.191 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.1 p -71.74 150.24 44.64 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.178 0.99 . . . . 0.0 112.813 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 33.8 t -157.9 162.35 38.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.362 1.465 . . . . 0.0 110.274 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -84.58 143.15 29.47 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.506 0.722 . . . . 0.0 110.291 168.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 11.8 m -142.77 164.35 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.389 1.876 . . . . 0.0 110.94 -171.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.67 139.03 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 125.881 1.672 . . . . 0.0 110.826 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 63.3 m -109.74 115.59 30.13 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.972 1.309 . . . . 0.0 108.254 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.4 117.05 14.69 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 168.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.42 -21.21 59.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.613 1.165 . . . . 0.0 112.007 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 27.4 m -80.93 -42.55 21.17 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.669 1.188 . . . . 0.0 111.478 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 82.6 m -99.11 -18.64 17.61 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 70.24 34.53 2.32 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.464 2.305 . . . . 0.0 113.75 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.33 158.86 18.55 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.792 1.237 . . . . 0.0 112.219 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 22.1 m -122.11 132.55 54.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.622 1.569 . . . . 0.0 109.694 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -159.51 -178.35 7.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.221 1.408 . . . . 0.0 111.533 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' A' ' 796' ' ' LYS . 1.4 m-85 -70.52 -26.96 63.82 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.916 1.286 . . . . 0.0 113.328 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -158.47 155.67 25.89 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.913 1.685 . . . . 0.0 112.279 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -81.33 160.19 20.02 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.307 2.672 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -75.43 157.9 33.45 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.746 0.784 . . . . 0.0 112.777 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.47 -33.91 74.55 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.719 -0.613 . . . . 0.0 111.457 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 17.7 p -66.25 -41.88 89.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.551 1.14 . . . . 0.0 112.024 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.2 m -63.96 -40.2 95.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.475 0.71 . . . . 0.0 111.554 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.81 -43.29 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.637 0.775 . . . . 0.0 111.555 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 74.4 m -72.25 -38.0 68.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.466 1.107 . . . . 0.0 113.784 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -81.62 -3.91 54.68 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.534 1.134 . . . . 0.0 112.543 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 58.18 49.75 10.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.063 1.745 . . . . 0.0 112.119 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -60.48 151.69 27.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.092 0.957 . . . . 0.0 110.276 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -83.77 138.82 33.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.111 0.564 . . . . 0.0 109.975 172.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.02 37.77 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -108.71 123.97 49.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.717 1.207 . . . . 0.0 109.847 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.32 147.27 23.05 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.014 0.926 . . . . 0.0 112.277 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -163.08 -178.58 6.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -100.07 150.78 22.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.153 -0.967 . . . . 0.0 112.341 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.67 -157.1 7.84 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 126.659 2.076 . . . . 0.0 112.347 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.91 137.56 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.359 1.464 . . . . 0.0 110.902 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 796' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 776' ' ' PHE . 11.6 ptmt -111.9 143.3 43.1 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.884 1.273 . . . . 0.0 113.967 -170.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.85 153.69 32.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.338 2.255 . . . . 0.0 110.03 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.78 142.83 43.65 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.421 1.489 . . . . 0.0 110.817 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -137.64 150.57 47.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.794 0.806 . . . . 0.0 113.024 -172.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -130.94 141.84 50.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.219 1.808 . . . . 0.0 111.619 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.74 149.44 35.72 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.21 1.804 . . . . 0.0 110.22 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.41 -21.69 46.42 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.473 2.782 . . . . 0.0 116.053 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -76.02 -10.92 59.81 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.374 1.443 . . . . 0.0 113.817 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.62 -13.9 42.44 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.643 2.068 . . . . 0.0 114.502 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -62.94 158.6 18.8 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.112 1.456 . . . . 0.0 113.007 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -131.51 162.37 30.41 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.224 1.41 . . . . 0.0 112.548 -170.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -161.71 174.64 12.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.951 1.7 . . . . 0.0 110.983 169.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.4 mt -142.29 141.55 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.903 2.081 . . . . 0.0 108.513 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 20.6 t -155.3 168.0 28.5 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.863 0.865 . . . . 0.0 111.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -95.5 -23.73 16.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.241 1.816 . . . . 0.0 110.991 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -85.86 169.81 12.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.037 1.335 . . . . 0.0 111.715 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -61.2 -15.84 38.61 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.53 131.83 3.92 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 127.123 2.169 . . . . 0.0 108.806 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.78 150.92 83.31 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.895 3.063 . . . . 0.0 112.181 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -15.8 45.05 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 168.91 13.63 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -167.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -71.1 162.28 29.69 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.411 1.484 . . . . 0.0 114.604 -175.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.18 131.24 48.81 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.447 1.099 . . . . 0.0 111.878 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 9.9 m -72.32 -13.63 61.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.521 1.128 . . . . 0.0 113.626 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.54 -40.8 5.23 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.005 1.322 . . . . 0.0 112.277 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.86 -13.28 6.94 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.54 -5.2 80.21 Favored Glycine 0 N--CA 1.474 1.229 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 165.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 -169.31 2.54 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.841 1.32 . . . . 0.0 112.724 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -135.98 89.17 2.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.357 1.463 . . . . 0.0 110.178 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -137.32 32.54 2.57 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.528 1.531 . . . . 0.0 112.207 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -59.87 139.61 57.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -125.46 131.93 52.77 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.282 1.833 . . . . 0.0 108.897 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -72.01 129.68 39.12 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.03 0.532 . . . . 0.0 110.281 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -127.98 169.0 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.767 1.627 . . . . 0.0 111.419 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -79.03 -172.38 42.13 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.56 1.076 . . . . 0.0 115.266 -174.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 28.4 ttt -77.67 122.92 25.99 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.406 1.082 . . . . 0.0 111.845 -170.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.45 ' CD2' ' H ' ' A' ' 832' ' ' LEU . 1.2 pt? -61.73 141.43 57.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.608 2.363 . . . . 0.0 112.276 167.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -91.07 -5.22 55.53 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -93.7 -174.6 3.51 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.145 1.778 . . . . 0.0 111.2 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -60.91 157.56 15.02 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 121.242 -0.911 . . . . 0.0 112.562 173.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 30.0 p -65.24 -20.42 66.42 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.249 1.819 . . . . 0.0 114.509 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -97.12 105.29 3.17 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-O 117.902 -1.499 . . . . 0.0 110.881 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.31 158.63 33.2 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.826 3.018 . . . . 0.0 111.776 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -76.99 -23.1 52.29 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 97.6 mt -87.33 164.98 15.96 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.883 1.673 . . . . 0.0 110.875 172.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 81.98 -175.0 53.96 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.585 1.088 . . . . 0.0 113.397 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.321 0 CA-C-O 117.824 -1.542 . . . . 0.0 113.255 -178.727 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -76.88 -22.97 11.2 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.816 3.011 . . . . 0.0 113.093 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 96.6 mtp -140.73 154.18 46.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.468 1.507 . . . . 0.0 111.582 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -93.45 173.36 33.97 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.991 1.281 . . . . 0.0 112.749 172.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 67.2 mtt -74.6 135.61 42.03 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.834 0.854 . . . . 0.0 111.464 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -164.76 125.48 2.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.46 1.504 . . . . 0.0 109.6 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 24.4 p -174.16 89.63 0.06 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.39 1.476 . . . . 0.0 110.817 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 11.2 mm -115.08 145.0 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.026 1.33 . . . . 0.0 109.923 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.28 28.09 0.32 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -132.62 154.28 50.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.752 2.021 . . . . 0.0 109.647 175.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -141.98 141.96 32.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -161.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.2 p -77.17 145.25 37.81 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.486 0.715 . . . . 0.0 112.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -161.78 167.71 24.43 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.901 1.281 . . . . 0.0 111.845 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -75.86 140.63 42.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 110.785 174.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 13.3 m -139.55 165.52 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 127.636 2.374 . . . . 0.0 110.217 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 137.03 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.944 1.298 . . . . 0.0 111.709 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 90.8 m -106.2 116.94 32.79 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.01 1.324 . . . . 0.0 108.705 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.42 123.45 24.71 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 167.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -81.13 -20.18 41.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.206 1.002 . . . . 0.0 112.417 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -82.55 -38.97 22.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.274 1.43 . . . . 0.0 111.519 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.73 -16.36 16.02 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.313 1.045 . . . . 0.0 113.763 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.71 20.11 4.74 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.379 2.272 . . . . 0.0 113.987 176.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -88.16 162.11 16.89 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.106 -0.996 . . . . 0.0 112.5 172.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 89.9 m -126.29 121.97 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.804 1.242 . . . . 0.0 109.307 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -135.39 178.83 6.73 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.366 1.866 . . . . 0.0 111.054 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -67.31 -32.73 73.89 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.25 1.42 . . . . 0.0 112.751 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -158.89 155.96 25.72 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 126.628 1.971 . . . . 0.0 111.557 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.88 150.48 34.53 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.343 2.029 . . . . 0.0 110.035 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -71.25 159.6 34.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.283 1.039 . . . . 0.0 112.373 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.6 -37.71 76.43 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.826 0.851 . . . . 0.0 111.754 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.8 p -65.34 -42.29 93.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.783 1.233 . . . . 0.0 111.74 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 92.0 m -66.43 -39.22 88.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.129 0.972 . . . . 0.0 112.021 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 88.2 t -69.83 -43.99 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.922 0.889 . . . . 0.0 111.389 173.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.3 t -71.4 -42.47 68.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -75.78 -14.45 60.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.284 1.034 . . . . 0.0 112.695 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 70.5 43.69 0.76 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.11 1.764 . . . . 0.0 112.59 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -58.27 154.17 13.85 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.04 1.336 . . . . 0.0 110.221 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -80.2 138.09 36.78 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.644 0.778 . . . . 0.0 109.815 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.21 150.43 46.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 174.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -112.15 121.0 43.73 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.946 1.298 . . . . 0.0 109.187 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -87.41 148.05 25.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.929 0.891 . . . . 0.0 111.79 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -162.31 178.82 8.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 111.142 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -93.13 145.9 24.06 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.354 -0.841 . . . . 0.0 111.833 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -149.67 -155.08 6.63 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.064 2.268 . . . . 0.0 111.817 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.11 136.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.381 1.473 . . . . 0.0 110.679 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.56 141.1 48.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.822 1.249 . . . . 0.0 112.771 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.47 155.18 44.13 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.874 2.069 . . . . 0.0 110.373 177.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 798' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 831' ' ' MET . 29.2 m-85 -115.79 146.85 41.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.321 1.448 . . . . 0.0 111.388 -164.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -141.47 149.62 41.19 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.61 138.89 49.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.86 1.664 . . . . 0.0 111.986 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 43.5 t -95.49 148.75 35.11 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 127.201 2.2 . . . . 0.0 110.669 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.4 -18.71 47.42 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.295 2.663 . . . . 0.0 115.967 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.98 -10.55 59.44 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.438 1.472 . . . . 0.0 113.964 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 103.22 -8.99 53.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.724 2.107 . . . . 0.0 114.838 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.02 150.97 47.07 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.241 1.52 . . . . 0.0 111.87 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -135.51 159.53 41.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.657 1.183 . . . . 0.0 112.808 -171.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -154.89 178.64 9.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.553 1.541 . . . . 0.0 111.569 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.18 146.97 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.61 1.964 . . . . 0.0 108.804 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.0 t -147.21 160.75 42.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 122.359 1.076 . . . . 0.0 112.793 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.99 -8.26 43.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.896 2.079 . . . . 0.0 111.758 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -110.88 174.4 5.88 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.858 2.063 . . . . 0.0 111.23 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.08 -10.2 9.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.9 tp -156.79 144.08 13.76 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.292 2.237 . . . . 0.0 109.144 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -69.47 152.62 70.84 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.989 2.459 . . . . 0.0 110.942 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -3.03 53.87 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 155.55 27.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.814 1.646 . . . . 0.0 112.986 -171.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -79.72 165.55 22.7 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.97 1.308 . . . . 0.0 111.963 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.25 133.35 55.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.435 -0.79 . . . . 0.0 112.684 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.0 m -72.93 -16.38 61.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.583 1.153 . . . . 0.0 113.306 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.66 -31.15 8.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.15 1.38 . . . . 0.0 112.325 -169.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 15.6 p -138.92 -13.18 1.24 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.23 5.06 70.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.984 1.154 . . . . 0.0 115.984 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.09 167.66 9.61 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.051 1.426 . . . . 0.0 113.718 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -130.6 49.38 2.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.512 1.525 . . . . 0.0 110.598 166.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -109.84 23.33 14.53 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.35 1.86 . . . . 0.0 113.126 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -46.83 129.61 11.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.789 2.035 . . . . 0.0 114.115 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -106.34 132.24 52.61 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.109 1.763 . . . . 0.0 109.954 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 125.18 23.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.266 0.627 . . . . 0.0 110.547 173.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.82 177.46 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 126.147 1.779 . . . . 0.0 110.159 170.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -121.28 159.52 15.83 Favored Glycine 0 N--CA 1.473 1.13 0 N-CA-C 115.086 0.794 . . . . 0.0 115.086 -170.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 831' ' ' MET . . . . . 0.427 ' HB3' ' CE2' ' A' ' 798' ' ' PHE . 16.1 tpt -164.08 138.22 5.59 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.097 1.359 . . . . 0.0 113.737 166.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -171.02 155.29 4.42 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.045 2.138 . . . . 0.0 110.919 -172.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -97.14 -5.04 38.17 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -167.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.98 151.03 20.72 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.461 1.504 . . . . 0.0 112.294 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -76.99 162.77 27.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.723 1.209 . . . . 0.0 112.627 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 9.1 t -163.8 157.17 18.63 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.253 1.821 . . . . 0.0 111.013 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -101.02 161.64 18.43 Favored Glycine 0 CA--C 1.545 1.925 0 C-N-CA 125.523 1.535 . . . . 0.0 113.498 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.41 105.47 2.05 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.765 2.977 . . . . 0.0 110.002 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -16.69 63.61 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -169.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -81.29 -15.59 55.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.35 1.46 . . . . 0.0 114.229 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 73.54 -144.35 34.06 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.161 0.886 . . . . 0.0 112.503 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.9 -1.5 . . . . 0.0 112.65 178.581 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.347 0 CA-C-O 119.522 -0.599 . . . . 0.0 112.713 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.49 158.48 47.8 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 124.054 3.169 . . . . 0.0 111.302 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -82.45 -49.95 9.39 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.406 0.682 . . . . 0.0 112.232 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -98.05 -30.04 7.29 Favored Glycine 0 N--CA 1.474 1.201 0 C-N-CA 124.233 0.921 . . . . 0.0 114.507 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -84.48 32.72 0.51 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.757 1.623 . . . . 0.0 113.457 -171.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -84.86 -9.77 57.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.229 1.412 . . . . 0.0 113.497 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 61.8 p -87.79 -103.03 0.08 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.998 1.719 . . . . 0.0 113.004 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 24.4 mm -94.79 163.0 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 127.491 2.317 . . . . 0.0 110.888 -171.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -72.55 55.87 0.37 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.419 1.888 . . . . 0.0 114.33 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -167.7 164.9 14.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.823 2.849 . . . . 0.0 110.305 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -152.73 142.25 21.75 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.55 0.74 . . . . 0.0 111.712 -172.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 21.4 p -70.09 142.42 52.64 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 111.725 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 36.6 t -154.37 155.46 35.1 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.276 1.03 . . . . 0.0 111.505 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -73.54 141.56 46.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 109.989 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 10.8 m -139.51 163.1 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.274 2.23 . . . . 0.0 110.906 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 10.8 p -134.52 141.55 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 126.419 1.888 . . . . 0.0 110.394 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 89.5 m -112.18 117.52 32.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.993 1.317 . . . . 0.0 108.937 168.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.1 t -74.44 123.06 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.562 0.745 . . . . 0.0 109.065 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.47 -17.78 47.49 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.312 -0.867 . . . . 0.0 112.622 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 57.7 m -81.69 -40.41 22.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.441 1.096 . . . . 0.0 111.429 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.83 -16.72 16.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 72.17 22.24 3.69 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.594 2.358 . . . . 0.0 113.533 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -99.2 156.08 17.15 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.445 1.098 . . . . 0.0 112.946 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 59.7 m -120.53 132.13 55.03 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.445 1.498 . . . . 0.0 110.114 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -155.39 -178.35 7.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.11 1.764 . . . . 0.0 111.344 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -68.34 -32.07 71.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 0.0 113.131 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -159.68 154.7 21.44 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.609 1.964 . . . . 0.0 111.574 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -78.08 151.0 26.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.987 2.458 . . . . 0.0 110.599 -175.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -68.09 157.21 35.77 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.485 0.714 . . . . 0.0 112.416 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.06 -31.49 71.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.5 p -66.16 -45.52 80.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.312 1.445 . . . . 0.0 110.992 171.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.96 -41.4 97.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.06 0.944 . . . . 0.0 111.879 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.78 -43.18 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.625 0.77 . . . . 0.0 111.469 175.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -39.62 69.26 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.211 -0.931 . . . . 0.0 113.3 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -80.21 -3.04 47.46 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.669 1.188 . . . . 0.0 112.767 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 22.7 m120 62.46 45.48 6.37 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.88 1.672 . . . . 0.0 113.079 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.09 154.16 20.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.017 0.927 . . . . 0.0 110.756 172.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.94 138.0 32.76 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.913 0.885 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.5 152.17 37.58 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -116.78 137.38 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.871 1.269 . . . . 0.0 110.802 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -103.98 150.83 23.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.664 1.185 . . . . 0.0 112.348 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -164.92 -167.02 1.12 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.701 2.0 . . . . 0.0 110.808 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -115.92 151.15 35.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.608 1.163 . . . . 0.0 112.422 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -151.43 -152.23 5.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 127.532 2.492 . . . . 0.0 112.213 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -150.47 136.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.429 1.492 . . . . 0.0 110.74 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -109.38 144.54 37.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.856 1.262 . . . . 0.0 114.198 -170.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -118.62 146.2 44.83 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.152 2.581 . . . . 0.0 109.944 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -112.11 138.33 48.92 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.374 1.069 . . . . 0.0 112.43 -171.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -133.09 148.74 52.16 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.162 0.985 . . . . 0.0 113.533 -172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -127.87 141.74 51.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.012 1.725 . . . . 0.0 111.535 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 46.5 t -96.85 149.02 35.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.542 1.937 . . . . 0.0 109.992 170.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.72 -19.37 45.75 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.589 2.859 . . . . 0.0 115.764 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.1 p -77.13 -11.19 59.78 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 120.251 1.387 . . . . 0.0 114.005 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.59 -14.61 38.66 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.73 2.109 . . . . 0.0 114.496 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.01 154.76 25.72 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.53 1.165 . . . . 0.0 112.316 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -129.12 156.42 43.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.381 1.472 . . . . 0.0 112.344 -172.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.7 t -155.24 172.59 17.92 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.664 1.586 . . . . 0.0 111.599 168.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.6 mt -140.37 141.69 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.526 1.93 . . . . 0.0 108.699 -175.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.5 t -153.83 172.07 17.93 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.223 -0.923 . . . . 0.0 111.155 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.76 -24.96 18.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.402 1.481 . . . . 0.0 111.834 -175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -91.02 166.3 13.08 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.437 1.495 . . . . 0.0 111.691 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.95 -9.56 16.29 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.326 1.45 . . . . 0.0 114.835 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.26 138.31 10.62 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.049 1.74 . . . . 0.0 109.529 171.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -73.7 160.43 43.85 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.076 2.517 . . . . 0.0 110.873 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.09 21.23 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.97 153.14 19.66 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.386 1.474 . . . . 0.0 113.238 -172.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -80.63 164.66 22.7 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.131 0.972 . . . . 0.0 112.405 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.48 135.87 57.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.888 1.275 . . . . 0.0 112.43 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 12.6 p -82.64 -8.87 59.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.347 1.459 . . . . 0.0 113.74 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.3 m -106.27 -40.32 5.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.046 1.338 . . . . 0.0 112.81 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.3 -13.91 6.02 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.33 -8.02 72.14 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 164.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.13 -172.98 4.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.11 1.455 . . . . 0.0 113.097 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -128.71 100.97 5.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.214 1.405 . . . . 0.0 109.954 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -144.85 29.36 1.22 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.614 1.566 . . . . 0.0 112.343 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -60.6 141.32 56.8 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.341 1.056 . . . . 0.0 113.527 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -130.98 137.54 49.29 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.493 1.917 . . . . 0.0 109.913 176.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -64.88 119.17 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.155 1.382 . . . . 0.0 110.445 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -119.14 168.07 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.428 1.491 . . . . 0.0 110.774 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -76.82 174.88 54.01 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 122.153 0.863 . . . . 0.0 114.855 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 55.3 ttp -68.82 148.08 50.8 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.499 1.12 . . . . 0.0 112.124 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.53 112.03 13.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.869 1.268 . . . . 0.0 110.337 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -77.91 -18.44 56.12 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.72 147.24 25.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.828 2.851 . . . . 0.0 109.216 171.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.62 146.48 44.6 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.667 -0.645 . . . . 0.0 112.338 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 17.4 m -67.1 138.38 57.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.802 1.641 . . . . 0.0 110.109 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -83.78 -175.77 51.01 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.537 1.065 . . . . 0.0 114.15 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.82 139.78 89.83 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 124.175 3.25 . . . . 0.0 112.543 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -85.45 161.53 19.37 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.181 0.992 . . . . 0.0 112.94 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.76 -24.85 59.92 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.735 1.214 . . . . 0.0 112.862 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 78.82 -160.17 46.58 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.793 1.187 . . . . 0.0 113.602 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 C-N-CA 125.439 1.495 . . . . 0.0 112.917 -177.35 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 119.518 -0.601 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -54.01 -29.93 56.96 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 124.789 3.659 . . . . 0.0 115.008 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -60.64 -26.12 66.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.539 1.536 . . . . 0.0 113.782 -177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -115.0 5.97 21.99 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 126.06 1.79 . . . . 0.0 114.775 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 38.3 tpp -76.65 158.12 31.31 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.873 1.269 . . . . 0.0 112.912 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -129.76 178.3 6.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.984 1.714 . . . . 0.0 110.805 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 50.3 m -82.8 70.29 9.76 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.812 -1.18 . . . . 0.0 112.263 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 19.0 mm -70.53 150.83 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 125.15 1.38 . . . . 0.0 112.355 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -74.32 19.04 0.13 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.324 1.85 . . . . 0.0 115.672 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -130.96 133.03 45.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.269 1.828 . . . . 0.0 107.576 164.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -119.6 142.56 48.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -157.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.2 m -62.8 140.04 58.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.991 0.916 . . . . 0.0 112.392 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.6 t -149.6 163.48 37.75 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.655 1.182 . . . . 0.0 111.149 -172.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -90.83 134.57 34.34 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.108 0.963 . . . . 0.0 110.046 169.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.68 170.2 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.889 2.075 . . . . 0.0 110.483 -167.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.5 p -131.82 142.01 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.801 1.24 . . . . 0.0 111.152 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 53.0 m -111.32 116.92 31.79 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.139 0.976 . . . . 0.0 108.683 161.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 37.8 t -75.12 117.92 17.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 168.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.2 -20.29 52.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.297 1.039 . . . . 0.0 112.544 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 36.8 m -76.98 -42.69 37.91 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.693 1.197 . . . . 0.0 111.678 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 86.4 m -99.56 -16.72 18.17 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 55.6 mttm 85.76 6.8 0.4 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.061 2.944 . . . . 0.0 114.57 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -103.22 161.64 13.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.509 1.124 . . . . 0.0 113.999 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 21.9 m -110.51 138.32 47.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.686 1.595 . . . . 0.0 109.95 175.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.87 172.92 16.62 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.723 1.609 . . . . 0.0 112.485 -174.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.69 -33.61 74.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.15 0.98 . . . . 0.0 112.618 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -163.19 153.01 13.09 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 126.721 2.008 . . . . 0.0 111.151 -173.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -75.31 158.1 41.15 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.089 2.526 . . . . 0.0 110.23 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.3 158.23 36.21 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.205 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.16 -32.58 72.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.644 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -69.76 -39.9 76.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.8 1.24 . . . . 0.0 112.194 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.85 -42.45 94.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.301 0.955 . . . . 0.0 111.609 175.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.43 -42.71 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.803 0.841 . . . . 0.0 110.883 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.9 t -68.22 -43.29 78.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.168 0.895 . . . . 0.0 112.847 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.91 -3.8 40.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.078 0.951 . . . . 0.0 113.092 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 57.57 50.59 10.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.294 1.838 . . . . 0.0 112.127 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -61.42 153.18 27.76 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.309 1.044 . . . . 0.0 110.593 169.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -86.25 135.0 33.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.582 0.753 . . . . 0.0 110.227 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.77 153.91 48.46 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.628 0.771 . . . . 0.0 112.396 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -114.17 128.55 56.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.13 1.372 . . . . 0.0 109.232 166.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -91.96 146.09 24.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.343 1.057 . . . . 0.0 111.141 172.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -163.41 178.46 8.06 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.222 1.809 . . . . 0.0 110.978 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.65 154.29 17.41 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 121.14 -0.975 . . . . 0.0 112.839 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.85 -157.87 8.97 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.924 2.202 . . . . 0.0 111.614 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.9 139.29 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.388 1.475 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -111.2 136.83 49.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.844 1.658 . . . . 0.0 112.527 -172.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.36 143.22 35.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.893 1.677 . . . . 0.0 109.22 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 798' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 831' ' ' MET . 20.4 m-85 -104.28 147.93 26.94 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.673 1.189 . . . . 0.0 110.236 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -135.97 143.51 44.89 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.461 0.704 . . . . 0.0 112.508 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -120.84 141.56 50.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.085 1.754 . . . . 0.0 111.89 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.41 149.23 35.85 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.518 1.927 . . . . 0.0 110.322 168.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -58.17 -22.62 57.57 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.196 2.597 . . . . 0.0 115.503 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -76.09 -12.98 60.21 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 120.218 1.372 . . . . 0.0 114.506 173.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.85 -13.36 34.83 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.363 1.935 . . . . 0.0 114.719 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -61.29 153.74 25.64 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.371 1.585 . . . . 0.0 112.154 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 27.1 mmt-85 -128.91 160.0 34.03 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.104 1.362 . . . . 0.0 112.812 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.1 t -158.44 178.27 10.34 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.276 1.83 . . . . 0.0 110.691 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.7 mt -141.31 146.5 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 126.27 1.828 . . . . 0.0 108.641 -175.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -141.48 159.03 43.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.258 0.623 . . . . 0.0 111.409 170.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.3 mt -82.86 -14.23 54.68 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.593 -0.692 . . . . 0.0 111.881 164.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -100.9 169.05 9.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.109 1.764 . . . . 0.0 112.025 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.41 -13.53 13.93 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.691 1.996 . . . . 0.0 115.238 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.6 tp -161.07 138.9 6.99 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.963 1.705 . . . . 0.0 109.882 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.74 157.57 43.76 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.383 2.722 . . . . 0.0 111.013 172.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -87.47 -27.36 22.72 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.83 147.98 30.18 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.585 1.154 . . . . 0.0 112.974 -164.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -82.08 161.04 23.04 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.906 -1.121 . . . . 0.0 111.683 172.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.41 139.45 58.2 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.814 1.246 . . . . 0.0 113.146 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -80.51 -17.21 52.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.219 1.008 . . . . 0.0 112.941 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 87.4 m -104.36 -36.6 7.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.013 1.325 . . . . 0.0 112.298 -168.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -129.87 -13.6 4.11 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.93 69.61 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.124 1.345 . . . . 0.0 116.011 163.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.64 -170.23 2.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.151 1.475 . . . . 0.0 113.026 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -133.23 95.55 3.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.614 1.565 . . . . 0.0 110.036 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.04 33.63 1.74 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.577 1.551 . . . . 0.0 112.111 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.03 134.53 57.18 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.942 -1.098 . . . . 0.0 113.211 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -119.65 135.6 54.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.134 1.774 . . . . 0.0 109.201 172.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -66.61 131.46 46.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.188 0.595 . . . . 0.0 110.414 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.31 169.65 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.328 1.851 . . . . 0.0 110.091 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -101.13 158.5 18.96 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.498 1.047 . . . . 0.0 114.585 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 831' ' ' MET . . . . . 0.422 ' HB3' ' CE2' ' A' ' 798' ' ' PHE . 28.1 ttt -162.11 143.48 10.77 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.884 1.674 . . . . 0.0 112.927 168.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . 0.284 0.0 OUTLIER -150.67 -137.55 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.926 1.29 . . . . 0.0 110.45 -166.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -69.71 -3.27 14.58 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -170.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.41 149.11 28.97 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.235 1.414 . . . . 0.0 112.207 176.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.4 -66.77 0.1 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.79 2.436 . . . . 0.0 115.495 172.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 18.3 p 70.15 -41.75 0.5 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 131.147 3.779 . . . . 0.0 113.53 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -131.79 177.72 18.43 Favored Glycine 0 CA--C 1.542 1.731 0 C-N-CA 127.035 2.255 . . . . 0.0 111.71 166.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.81 -23.63 22.2 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.76 2.973 . . . . 0.0 113.007 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -148.31 160.19 43.24 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.837 1.655 . . . . 0.0 112.15 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 8.0 tt -87.7 145.68 26.04 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.381 1.473 . . . . 0.0 111.3 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 87.01 177.95 49.01 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.97 1.271 . . . . 0.0 113.569 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.268 0 C-N-CA 125.687 1.613 . . . . 0.0 112.841 -177.534 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 CA-C-O 118.812 -0.993 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -59.42 164.68 10.56 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 124.828 3.686 . . . . 0.0 113.388 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 28.3 ptm -154.79 162.25 41.19 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.868 1.267 . . . . 0.0 112.575 -177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 89.01 163.14 39.19 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.908 1.242 . . . . 0.0 113.631 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.84 2.07 50.25 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.187 1.395 . . . . 0.0 114.087 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -152.03 145.99 25.22 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.285 1.834 . . . . 0.0 110.52 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 72.3 p -155.96 160.55 40.19 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.382 1.473 . . . . 0.0 111.293 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 11.6 mm -86.91 150.48 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.09 0.956 . . . . 0.0 110.255 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -76.98 42.3 0.31 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.893 2.077 . . . . 0.0 114.765 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.1 145.88 12.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 129.924 3.289 . . . . 0.0 108.585 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -127.21 137.93 53.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.935 0.894 . . . . 0.0 112.506 -166.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.9 m -64.7 129.74 40.96 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.4 -0.812 . . . . 0.0 112.157 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 89.0 m -130.31 173.63 10.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.11 1.764 . . . . 0.0 111.723 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -91.2 143.77 26.32 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.484 0.714 . . . . 0.0 109.768 160.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.74 163.13 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 127.459 2.303 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.6 p -135.2 136.88 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.125 1.37 . . . . 0.0 110.876 -174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.0 m -107.8 114.22 28.01 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.81 1.244 . . . . 0.0 108.987 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -75.28 116.68 16.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -78.52 -17.9 55.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.338 1.055 . . . . 0.0 112.001 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.6 m -82.55 -38.55 23.59 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.457 1.503 . . . . 0.0 111.729 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 80.2 m -100.99 -16.43 17.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 68.87 48.67 0.72 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.698 1.999 . . . . 0.0 112.686 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -135.74 160.91 37.07 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.918 1.287 . . . . 0.0 112.516 171.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 29.1 m -119.97 135.95 54.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.527 1.531 . . . . 0.0 110.393 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.83 178.82 9.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.724 1.61 . . . . 0.0 110.563 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -21.16 61.04 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.523 -1.361 . . . . 0.0 114.465 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -155.08 153.42 27.17 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 124.709 1.204 . . . . 0.0 113.224 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -80.6 154.3 20.7 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.456 2.771 . . . . 0.0 109.288 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -76.42 158.98 30.87 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.797 0.808 . . . . 0.0 112.084 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.5 -32.88 72.93 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.623 -0.673 . . . . 0.0 112.172 174.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.9 p -66.32 -43.35 86.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.314 1.046 . . . . 0.0 111.451 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.18 -41.97 96.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.046 0.938 . . . . 0.0 112.088 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.53 -40.88 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.797 0.839 . . . . 0.0 111.096 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 18.0 t -69.66 -43.27 72.91 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.161 0.891 . . . . 0.0 113.205 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.77 -5.74 49.42 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.608 1.163 . . . . 0.0 112.925 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 56.8 51.94 10.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.243 1.817 . . . . 0.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -60.79 153.66 23.85 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.484 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.77 138.34 32.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.533 0.733 . . . . 0.0 110.345 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.12 152.97 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 122.042 0.925 . . . . 0.0 112.783 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -118.25 144.56 45.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.929 1.291 . . . . 0.0 109.757 166.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -105.8 146.97 29.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.08 . . . . 0.0 112.231 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -148.28 177.37 9.48 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.457 2.303 . . . . 0.0 109.854 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -100.2 155.57 17.68 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.374 -1.454 . . . . 0.0 112.841 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -165.98 -156.22 9.25 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.675 1.607 . . . . 0.0 113.163 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.75 135.55 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.11 1.364 . . . . 0.0 110.518 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -100.11 150.26 22.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.713 1.605 . . . . 0.0 113.28 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -120.62 138.01 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.38 2.272 . . . . 0.0 108.971 -169.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 831' ' ' MET . 22.9 m-85 -108.69 142.65 38.88 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.382 1.073 . . . . 0.0 112.216 -171.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -137.19 154.85 50.11 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.812 -173.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.84 142.72 47.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.912 1.685 . . . . 0.0 112.268 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 801' ' ' CYS . . . . . 0.403 ' SG ' ' HD2' ' A' ' 802' ' ' PRO . 48.1 t -100.59 151.23 37.52 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.971 2.108 . . . . 0.0 111.173 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 802' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 801' ' ' CYS . 87.1 Cg_exo -46.76 -33.33 13.67 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 124.031 3.154 . . . . 0.0 116.607 173.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.4 p -77.58 -10.06 59.29 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 102.26 -9.03 55.93 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.177 1.846 . . . . 0.0 114.661 -176.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -62.62 154.82 27.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.882 1.341 . . . . 0.0 111.846 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -125.61 157.11 38.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.025 1.73 . . . . 0.0 111.784 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.7 t -155.34 173.86 16.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.649 1.18 . . . . 0.0 111.432 166.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.9 mt -139.78 146.54 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 126.441 1.896 . . . . 0.0 108.748 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.5 t -147.97 168.31 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.849 1.26 . . . . 0.0 111.055 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.7 mt -87.1 -17.53 32.61 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.182 -0.949 . . . . 0.0 112.238 165.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.55 161.26 17.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 112.246 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -64.07 -13.17 45.42 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.55 138.09 10.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 127.221 2.208 . . . . 0.0 108.308 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -71.13 166.11 30.24 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.347 2.698 . . . . 0.0 110.657 174.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 -8.29 12.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.664 1.186 . . . . 0.0 113.75 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -76.04 150.32 37.36 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 112.524 176.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -79.52 165.75 22.66 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.497 -0.752 . . . . 0.0 111.067 167.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 51.1 t -61.9 134.37 56.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.083 0.953 . . . . 0.0 112.791 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -74.09 -15.69 61.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.271 1.029 . . . . 0.0 113.769 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.2 m -106.24 -37.73 6.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 112.762 -171.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.56 -14.06 3.72 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.15 -3.65 76.78 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 164.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -177.23 6.6 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.338 1.569 . . . . 0.0 113.309 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -130.07 97.23 4.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.402 1.481 . . . . 0.0 110.028 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -144.05 27.21 1.46 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.959 1.703 . . . . 0.0 111.927 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -55.05 133.54 48.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.233 1.013 . . . . 0.0 112.947 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -114.11 132.31 56.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.916 1.686 . . . . 0.0 109.448 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -66.01 127.48 32.26 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.48 175.66 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.76 1.624 . . . . 0.0 110.589 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -106.8 160.94 14.08 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.577 1.084 . . . . 0.0 114.514 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 831' ' ' MET . . . . . 0.443 ' HB3' ' CE2' ' A' ' 798' ' ' PHE . 9.3 ttt -160.08 158.24 30.0 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.945 1.298 . . . . 0.0 111.705 169.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.77 -179.09 6.57 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.958 2.103 . . . . 0.0 109.382 169.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -67.8 -13.96 62.56 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 -167.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -147.1 139.47 24.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.705 2.402 . . . . 0.0 109.901 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -79.49 139.95 37.45 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.217 1.007 . . . . 0.0 112.288 172.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 40.8 p -150.84 169.02 22.7 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.855 2.062 . . . . 0.0 110.794 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -72.45 130.68 15.79 Favored Glycine 0 CA--C 1.543 1.829 0 CA-C-O 117.644 -1.642 . . . . 0.0 110.562 169.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -56.2 145.37 77.08 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.025 3.15 . . . . 0.0 113.82 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -72.67 -21.59 61.05 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.696 0.798 . . . . 0.0 112.299 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.51 135.22 52.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.289 1.436 . . . . 0.0 110.509 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 79.73 -163.6 48.06 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.485 1.04 . . . . 0.0 113.246 -177.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.38 0 C-N-CA 125.288 1.423 . . . . 0.0 113.019 178.942 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 CA-C-O 119.482 -0.621 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.5 -43.86 0.88 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.657 2.905 . . . . 0.0 113.151 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 39.9 ttp 72.29 -27.21 0.18 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.924 2.49 . . . . 0.0 113.953 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -176.76 153.58 14.33 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.41 1.481 . . . . 0.0 113.936 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 70.5 mtm 72.73 -29.3 0.2 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.224 2.609 . . . . 0.0 115.856 162.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -76.8 -31.91 57.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.278 1.031 . . . . 0.0 112.494 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 21.6 m -94.67 153.55 17.76 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.76 1.224 . . . . 0.0 112.761 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 21.9 mm -89.34 146.61 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.288 1.035 . . . . 0.0 110.026 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -71.11 23.19 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.528 1.931 . . . . 0.0 116.144 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -141.49 157.51 45.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.313 1.845 . . . . 0.0 111.026 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -133.05 148.84 52.21 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.1 0.96 . . . . 0.0 112.725 -168.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 40.9 p -77.55 146.65 36.18 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.787 0.803 . . . . 0.0 111.982 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.0 m -146.65 161.56 40.3 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.439 1.896 . . . . 0.0 110.194 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -78.32 136.93 37.82 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.51 164.26 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 127.69 2.396 . . . . 0.0 109.866 -171.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.1 p -135.0 130.8 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 125.778 1.631 . . . . 0.0 110.643 -172.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 58.9 m -97.97 123.45 41.97 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.09 119.04 15.73 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 164.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -21.51 56.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.238 -0.914 . . . . 0.0 112.276 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.7 m -74.43 -48.91 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.026 1.331 . . . . 0.0 111.102 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.12 -18.86 19.83 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 72.12 23.8 3.31 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 127.63 2.372 . . . . 0.0 114.556 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -100.24 158.17 16.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.361 1.064 . . . . 0.0 112.459 172.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.0 m -119.42 138.11 53.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.257 1.423 . . . . 0.0 111.092 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -154.77 175.44 13.71 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.733 2.013 . . . . 0.0 110.095 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -33.91 73.82 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.718 -1.239 . . . . 0.0 112.812 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -136.73 156.67 75.99 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.363 1.865 . . . . 0.0 111.282 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -69.41 153.01 71.14 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.802 2.334 . . . . 0.0 110.476 172.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.2 160.5 26.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.693 0.797 . . . . 0.0 112.878 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.34 -37.63 78.32 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.662 -0.648 . . . . 0.0 111.52 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.4 p -62.89 -42.53 99.81 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.676 1.19 . . . . 0.0 112.003 173.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.7 m -68.98 -37.98 79.07 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.864 0.866 . . . . 0.0 112.116 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.15 -42.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.972 0.509 . . . . 0.0 110.83 172.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 -42.27 76.55 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -80.57 -7.79 59.36 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.667 1.187 . . . . 0.0 113.132 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 19.1 m120 65.44 44.61 3.06 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.189 1.796 . . . . 0.0 112.367 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -61.52 156.33 19.83 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.64 0.776 . . . . 0.0 110.719 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.75 137.78 32.09 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.345 0.658 . . . . 0.0 110.598 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.25 163.67 29.45 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -139.52 137.18 35.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 112.172 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -102.2 151.52 22.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.446 1.098 . . . . 0.0 113.559 -171.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -169.59 -177.38 2.71 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.173 2.589 . . . . 0.0 109.539 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -113.71 149.78 34.27 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.011 -1.68 . . . . 0.0 113.416 -174.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -162.07 -167.14 22.07 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.482 1.515 . . . . 0.0 114.116 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.52 134.31 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.514 1.526 . . . . 0.0 109.846 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.02 164.44 12.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.988 1.315 . . . . 0.0 113.987 -175.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -133.36 124.92 28.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.689 1.996 . . . . 0.0 109.352 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -98.09 139.42 33.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 111.579 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -132.94 153.77 51.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.686 1.195 . . . . 0.0 113.347 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -133.27 143.59 49.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.375 1.87 . . . . 0.0 111.629 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.95 147.91 34.58 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.752 2.021 . . . . 0.0 110.337 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.98 -19.38 55.23 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.434 2.756 . . . . 0.0 115.898 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -76.19 -12.0 60.02 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.206 1.366 . . . . 0.0 113.964 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 105.6 -8.48 43.68 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.265 1.888 . . . . 0.0 114.243 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.18 153.69 41.76 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 118.928 1.364 . . . . 0.0 111.897 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.84 155.14 44.59 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.944 1.698 . . . . 0.0 111.511 -173.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -157.22 174.82 14.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.917 1.287 . . . . 0.0 111.271 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -140.79 147.06 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.793 1.637 . . . . 0.0 108.806 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.9 t -143.94 175.31 10.12 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.919 -1.113 . . . . 0.0 111.007 170.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.48 -18.74 21.96 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.548 0.739 . . . . 0.0 111.292 162.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -87.53 167.15 14.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.013 1.325 . . . . 0.0 112.31 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -66.87 -13.12 61.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -163.03 136.9 4.66 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.678 1.991 . . . . 0.0 109.283 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -73.56 155.37 50.04 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 123.243 2.629 . . . . 0.0 110.689 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.412 ' H ' ' HD3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -96.39 -17.47 20.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -69.35 145.93 52.55 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.712 1.605 . . . . 0.0 112.729 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -79.92 162.5 24.93 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.307 -0.87 . . . . 0.0 110.709 163.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.2 140.1 58.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.638 1.175 . . . . 0.0 112.771 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.2 m -85.6 -10.26 56.11 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.3 m -102.34 -42.21 6.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.596 1.158 . . . . 0.0 111.989 -175.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.7 p -123.34 -14.81 7.35 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.65 -6.67 74.22 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 165.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -170.25 2.57 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.404 1.602 . . . . 0.0 113.199 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -129.33 101.42 5.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.532 1.533 . . . . 0.0 110.284 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -145.17 29.32 1.18 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 126.287 1.835 . . . . 0.0 112.731 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.13 137.63 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.78 -1.2 . . . . 0.0 113.18 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -122.99 133.05 54.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.611 1.964 . . . . 0.0 109.502 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.27 125.27 25.56 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.369 0.668 . . . . 0.0 110.218 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.4 m -131.09 176.76 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.494 1.518 . . . . 0.0 110.784 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -109.29 172.52 16.27 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.421 1.01 . . . . 0.0 114.052 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 14.8 tpt -163.2 115.77 1.54 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.021 1.328 . . . . 0.0 113.739 166.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 tp -169.76 161.19 9.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.662 1.985 . . . . 0.0 110.782 173.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -76.24 -12.71 60.13 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -83.05 127.87 33.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.598 1.559 . . . . 0.0 109.965 171.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -67.38 147.96 52.24 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.39 -0.819 . . . . 0.0 112.855 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 26.7 p -77.55 -24.67 49.84 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.362 1.465 . . . . 0.0 114.26 -173.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 108.56 -122.18 6.54 Favored Glycine 0 CA--C 1.541 1.662 0 CA-C-O 117.807 -1.552 . . . . 0.0 112.132 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.93 150.62 61.39 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.31 2.673 . . . . 0.0 113.106 -172.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -83.14 -12.5 56.93 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.936 1.294 . . . . 0.0 113.477 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.07 151.94 44.02 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.598 1.559 . . . . 0.0 111.519 -174.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 84.46 0.46 89.37 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.418 1.009 . . . . 0.0 115.524 175.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 CA-C-N 118.839 1.319 . . . . 0.0 113.266 178.888 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.12 164.26 35.9 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 124.063 3.175 . . . . 0.0 112.203 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 28.3 ptm -158.51 161.35 37.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.919 1.687 . . . . 0.0 111.336 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -76.92 118.71 5.22 Favored Glycine 0 N--CA 1.469 0.844 0 C-N-CA 123.858 0.742 . . . . 0.0 111.853 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -66.58 -10.8 49.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -71.23 -19.95 62.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.628 1.171 . . . . 0.0 112.039 172.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 10.2 t -96.11 134.96 38.53 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.134 -0.979 . . . . 0.0 110.989 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.01 151.64 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.217 1.407 . . . . 0.0 109.885 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -71.02 34.83 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.986 2.114 . . . . 0.0 113.721 170.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.21 140.33 7.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 129.016 2.926 . . . . 0.0 108.45 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -118.91 145.05 46.06 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.726 0.774 . . . . 0.0 112.938 -159.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 50.2 p -76.59 151.6 36.22 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.7 0.762 . . . . 0.0 112.449 175.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -157.31 177.38 11.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 0.0 110.732 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.5 ttm105 -90.77 142.29 27.91 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.779 0.831 . . . . 0.0 109.611 167.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.62 162.68 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.31 1.844 . . . . 0.0 110.38 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.6 p -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.263 1.025 . . . . 0.0 111.477 -173.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 56.6 m -122.09 116.6 24.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.863 1.265 . . . . 0.0 108.806 162.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.0 t -69.96 120.79 16.21 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -80.46 -21.59 41.9 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.995 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.4 m -74.81 -47.2 31.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.063 1.345 . . . . 0.0 110.985 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -98.05 -16.14 19.73 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? 73.25 20.94 3.18 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.887 2.475 . . . . 0.0 114.56 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -97.04 156.49 16.34 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.473 1.109 . . . . 0.0 113.053 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 41.3 m -111.91 142.51 44.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.192 1.797 . . . . 0.0 109.58 173.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.6 168.72 25.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.899 1.28 . . . . 0.0 112.653 -168.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -72.22 -32.34 66.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 112.266 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.21 154.44 16.25 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 127.143 2.177 . . . . 0.0 110.453 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.57 151.96 42.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.644 2.229 . . . . 0.0 111.044 -176.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -69.78 161.96 28.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.903 0.881 . . . . 0.0 113.163 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.56 -36.76 81.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.238 -0.914 . . . . 0.0 112.15 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.2 p -63.87 -43.43 96.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.516 1.126 . . . . 0.0 111.553 171.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.0 -40.09 94.44 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.813 0.845 . . . . 0.0 112.181 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 87.0 t -71.42 -41.97 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.576 0.75 . . . . 0.0 111.665 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 113.015 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -76.66 -9.7 58.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.048 0.939 . . . . 0.0 112.604 173.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 58.7 52.18 7.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.598 1.559 . . . . 0.0 112.256 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.43 157.45 11.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.225 1.01 . . . . 0.0 110.487 169.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -84.53 137.88 33.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.704 -0.623 . . . . 0.0 110.375 173.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.81 148.09 41.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.475 0.655 . . . . 0.0 112.673 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.8 123.11 46.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.235 1.414 . . . . 0.0 109.775 166.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -96.11 149.81 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.805 0.842 . . . . 0.0 111.948 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -161.99 177.56 9.66 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.27 1.828 . . . . 0.0 110.362 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.29 154.99 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.84 -1.162 . . . . 0.0 112.374 174.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.29 -176.19 30.07 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.762 1.649 . . . . 0.0 112.855 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.1 t -126.95 124.61 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.005 1.322 . . . . 0.0 109.542 174.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -82.37 141.15 33.05 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.866 1.266 . . . . 0.0 112.41 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -111.19 134.69 52.59 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 126.14 1.776 . . . . 0.0 109.919 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 798' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 831' ' ' MET . 13.9 m-85 -100.55 141.85 32.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.945 1.298 . . . . 0.0 111.109 -176.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.55 155.11 50.99 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.206 1.002 . . . . 0.0 112.876 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -138.45 142.41 39.48 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.873 1.669 . . . . 0.0 111.688 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -100.27 147.79 34.01 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 127.015 2.126 . . . . 0.0 110.164 172.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.29 -18.87 47.53 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.416 2.744 . . . . 0.0 115.853 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.9 p -76.53 -12.43 60.03 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 120.62 1.555 . . . . 0.0 114.316 172.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.9 -8.51 39.33 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 126.564 2.03 . . . . 0.0 114.538 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -65.66 155.08 37.03 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.076 1.438 . . . . 0.0 111.832 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -131.45 157.89 42.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.979 1.712 . . . . 0.0 112.147 -171.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.4 t -160.43 173.51 15.49 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.416 1.487 . . . . 0.0 111.357 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 24.9 mt -139.22 142.28 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.661 1.984 . . . . 0.0 108.684 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -143.75 161.19 39.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.495 0.718 . . . . 0.0 111.793 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.83 -14.53 47.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.754 0.821 . . . . 0.0 112.535 166.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -91.31 166.17 13.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.253 1.421 . . . . 0.0 112.404 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -63.16 -14.98 55.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.514 1.526 . . . . 0.0 114.672 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.0 tp -162.28 139.11 6.12 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 127.246 2.218 . . . . 0.0 109.09 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.56 153.92 54.93 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.998 2.465 . . . . 0.0 110.78 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.25 -21.33 20.39 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 147.85 32.51 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.948 1.299 . . . . 0.0 113.214 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -80.8 164.06 22.99 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.263 -0.898 . . . . 0.0 111.692 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.74 139.95 58.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.278 1.031 . . . . 0.0 112.972 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 58.3 m -86.86 -11.86 49.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.263 1.025 . . . . 0.0 112.928 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.2 m -102.3 -41.14 6.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.334 1.454 . . . . 0.0 112.142 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -125.31 -13.62 6.63 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.53 -8.96 71.7 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 164.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -171.89 3.36 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.864 1.332 . . . . 0.0 113.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -129.34 96.3 4.26 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.187 1.395 . . . . 0.0 110.07 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.82 31.53 1.62 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.814 1.645 . . . . 0.0 112.125 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -58.94 134.21 56.74 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.086 -1.009 . . . . 0.0 112.186 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -119.91 135.88 54.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.768 1.627 . . . . 0.0 108.837 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -71.57 131.18 42.87 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.971 0.508 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.7 169.63 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.067 1.747 . . . . 0.0 110.993 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -104.43 161.76 15.25 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 124.511 1.053 . . . . 0.0 113.744 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 831' ' ' MET . . . . . 0.415 ' HB3' ' CE2' ' A' ' 798' ' ' PHE . 33.9 ttp -157.7 143.65 17.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.288 1.435 . . . . 0.0 111.98 172.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 tp -169.83 165.55 9.76 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.697 1.599 . . . . 0.0 111.1 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -83.03 -0.31 48.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -137.71 155.8 48.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.847 2.059 . . . . 0.0 111.067 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -69.7 151.99 45.19 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.046 1.338 . . . . 0.0 113.906 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 18.9 m -69.02 -38.06 79.01 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.973 1.709 . . . . 0.0 112.209 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -143.31 161.45 27.64 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.395 1.474 . . . . 0.0 112.738 173.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.86 -15.28 29.76 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.974 3.116 . . . . 0.0 113.674 -174.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -68.13 -26.17 65.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.41 1.084 . . . . 0.0 113.486 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 33.3 tp -70.07 146.19 51.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.739 1.215 . . . . 0.0 111.371 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -82.43 -145.94 5.75 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.339 1.447 . . . . 0.0 113.285 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.392 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.984 -179.249 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 CA-C-O 119.698 -0.501 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -58.67 146.56 91.44 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 124.411 3.407 . . . . 0.0 113.392 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 37.3 mmt -80.23 162.6 24.56 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.253 1.021 . . . . 0.0 112.323 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 85.93 13.66 68.87 Favored Glycine 0 N--CA 1.477 1.406 0 C-N-CA 124.301 0.953 . . . . 0.0 113.929 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 149.59 25.47 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.825 1.65 . . . . 0.0 112.668 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.63 -27.34 55.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.712 0.805 . . . . 0.0 112.538 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 5.6 t -168.57 -179.79 4.0 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.232 1.413 . . . . 0.0 111.263 177.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 18.0 mm -109.59 151.7 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.341 1.856 . . . . 0.0 109.015 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -70.1 20.57 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.69 152.78 48.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.349 1.86 . . . . 0.0 109.897 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -141.55 148.96 40.17 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.631 -0.668 . . . . 0.0 112.743 -165.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 61.0 p -81.32 159.76 24.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.498 1.119 . . . . 0.0 113.597 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -161.04 178.02 9.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.035 1.734 . . . . 0.0 111.707 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -91.39 143.11 26.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.509 0.724 . . . . 0.0 109.795 163.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 32.7 m -137.94 170.78 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 127.088 2.155 . . . . 0.0 110.215 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.5 p -141.44 141.65 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.557 1.143 . . . . 0.0 111.346 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -108.61 116.81 32.68 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.753 1.221 . . . . 0.0 108.831 165.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.4 t -74.39 119.71 18.96 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 166.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.95 -18.53 50.19 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.242 1.017 . . . . 0.0 112.417 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -81.34 -40.04 24.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.445 1.098 . . . . 0.0 111.692 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 73.4 m -100.8 -17.45 16.9 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 74.27 21.15 2.49 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 127.75 2.42 . . . . 0.0 113.499 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -96.55 158.46 15.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.514 -1.366 . . . . 0.0 112.864 174.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.2 m -117.48 135.15 54.12 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 109.42 171.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.1 -178.84 7.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.811 1.244 . . . . 0.0 111.795 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.7 -30.05 65.25 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.22 -0.925 . . . . 0.0 113.148 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -160.26 157.02 24.18 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 126.162 1.785 . . . . 0.0 111.605 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.78 152.76 37.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.462 2.108 . . . . 0.0 110.005 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -70.32 159.05 34.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.587 0.708 . . . . 0.0 111.947 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.84 -32.94 72.32 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 111.74 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.6 p -65.63 -43.67 88.81 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.664 1.186 . . . . 0.0 111.697 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.1 m -63.67 -40.85 97.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.433 1.015 . . . . 0.0 112.012 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.87 -42.75 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.693 0.797 . . . . 0.0 111.236 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.9 t -70.33 -42.06 72.4 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.036 0.934 . . . . 0.0 113.159 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.38 -4.81 44.28 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.423 1.089 . . . . 0.0 112.507 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 58.89 47.32 12.61 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.769 1.628 . . . . 0.0 112.18 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -60.76 152.16 27.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.513 1.125 . . . . 0.0 110.622 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -83.81 138.44 33.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.389 0.676 . . . . 0.0 109.939 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.35 153.24 42.52 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -115.99 128.58 55.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.086 1.354 . . . . 0.0 109.511 169.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.16 150.79 19.99 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.366 1.066 . . . . 0.0 111.901 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -164.38 178.82 7.19 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.538 1.935 . . . . 0.0 110.356 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -95.52 155.07 16.9 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.086 -1.008 . . . . 0.0 112.953 174.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.49 -176.86 30.03 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.648 1.594 . . . . 0.0 113.502 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 65.8 t -130.95 134.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.849 1.66 . . . . 0.0 109.149 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -104.46 148.78 26.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -172.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -114.98 132.65 56.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.539 2.336 . . . . 0.0 109.353 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -100.23 145.46 28.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.08 0.952 . . . . 0.0 111.336 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -135.73 153.45 51.57 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.717 0.807 . . . . 0.0 112.951 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -132.18 142.69 49.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.912 1.685 . . . . 0.0 112.125 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.77 150.2 36.52 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.461 1.905 . . . . 0.0 111.131 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.55 -24.0 59.56 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.399 2.732 . . . . 0.0 115.714 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 15.6 p -75.51 -12.77 60.3 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.75 -9.53 37.6 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.756 1.646 . . . . 0.0 114.78 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -65.54 155.23 36.35 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.724 1.262 . . . . 0.0 112.315 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -128.5 158.7 37.67 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.388 1.475 . . . . 0.0 111.662 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.1 t -157.94 174.99 14.42 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.642 1.577 . . . . 0.0 110.794 170.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.89 143.83 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.789 1.636 . . . . 0.0 108.985 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -140.57 165.95 26.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.227 1.011 . . . . 0.0 111.7 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.81 -9.08 44.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.503 1.121 . . . . 0.0 112.013 165.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.66 167.97 10.63 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.625 1.57 . . . . 0.0 111.509 174.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.49 -13.51 58.98 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.931 1.292 . . . . 0.0 114.125 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.7 tp -155.68 138.63 10.64 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.093 1.757 . . . . 0.0 109.792 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 154.62 54.04 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.552 2.835 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.03 -13.17 39.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 155.9 18.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.585 1.554 . . . . 0.0 113.702 -167.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -81.31 164.91 21.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.2 1.0 . . . . 0.0 111.83 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.34 134.24 56.73 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.382 -0.824 . . . . 0.0 112.313 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.0 m -73.21 -16.96 61.4 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.206 1.002 . . . . 0.0 113.06 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 93.4 m -107.91 -40.62 5.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 112.21 -167.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.87 -11.36 7.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.12 -7.06 81.33 Favored Glycine 0 N--CA 1.474 1.213 0 C-N-CA 125.189 1.376 . . . . 0.0 116.403 163.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -173.22 4.25 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 118.799 1.299 . . . . 0.0 112.615 178.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -129.4 97.25 4.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.239 1.416 . . . . 0.0 109.782 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -141.65 30.64 1.68 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.764 1.625 . . . . 0.0 112.215 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -60.2 132.92 55.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.096 0.959 . . . . 0.0 113.29 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -111.25 134.34 52.92 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.27 1.828 . . . . 0.0 109.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.74 129.24 37.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.972 0.415 . . . . 0.0 110.397 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.0 m -133.22 177.21 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.175 1.79 . . . . 0.0 110.488 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -108.71 174.05 18.21 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.459 1.028 . . . . 0.0 113.986 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 19.2 ttt -166.25 133.24 2.63 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.825 1.65 . . . . 0.0 113.684 168.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.3 tp -155.69 -175.46 5.44 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.973 2.109 . . . . 0.0 110.265 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -65.75 -19.53 65.93 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -105.3 130.25 53.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 125.559 1.543 . . . . 0.0 111.747 -158.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.32 158.27 31.98 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.181 0.992 . . . . 0.0 113.342 172.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 33.8 p -73.7 167.52 21.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.221 1.408 . . . . 0.0 110.83 171.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 82.88 -146.06 23.97 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-O 118.616 -1.102 . . . . 0.0 112.419 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -55.36 136.02 71.74 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 124.134 3.223 . . . . 0.0 113.434 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -74.13 -26.63 60.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.69 0.796 . . . . 0.0 112.218 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 41.0 tp -64.17 148.19 50.58 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.663 1.585 . . . . 0.0 111.348 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 83.91 145.02 6.39 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.526 1.06 . . . . 0.0 113.061 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.298 0 C-N-CA 125.908 1.718 . . . . 0.0 112.317 178.014 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 CA-C-O 119.365 -0.686 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.45 -21.6 17.03 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.694 2.929 . . . . 0.0 113.967 -173.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 93.8 mmm -75.51 0.75 16.18 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -175.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 66.11 -121.49 18.79 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.307 0.956 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -97.5 -2.41 42.0 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 174.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 135.3 -44.59 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.957 1 C-N-CA 133.106 4.563 . . . . 0.0 107.75 -171.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 71.3 m -93.11 149.38 21.27 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.024 1.33 . . . . 0.0 110.456 161.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 9.0 mm -74.0 142.79 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.067 0.947 . . . . 0.0 110.341 -177.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -79.98 37.92 0.38 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -173.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -151.09 160.71 43.73 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.759 2.423 . . . . 0.0 109.537 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -150.2 146.98 27.16 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 15.1 m -70.43 150.99 45.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.546 1.138 . . . . 0.0 112.713 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.3 t -151.15 161.06 43.42 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.218 1.407 . . . . 0.0 110.511 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -80.84 138.67 36.22 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 160.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.9 167.95 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 -170.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.28 137.79 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.883 1.273 . . . . 0.0 111.061 -171.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 82.7 m -106.8 117.73 34.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.446 1.098 . . . . 0.0 108.336 164.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.05 117.79 16.25 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.9 -23.93 58.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.199 1.0 . . . . 0.0 111.876 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -75.7 -46.78 29.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.931 1.292 . . . . 0.0 111.158 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.8 m -96.1 -17.59 20.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.47 30.87 2.4 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.599 2.359 . . . . 0.0 114.105 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -111.08 157.53 19.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.552 1.141 . . . . 0.0 112.285 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.2 m -118.86 134.21 55.31 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.664 1.586 . . . . 0.0 110.38 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.97 -179.26 7.39 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.517 1.927 . . . . 0.0 110.827 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -22.34 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.702 -1.249 . . . . 0.0 113.82 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -161.28 153.47 16.72 Favored Pre-proline 0 N--CA 1.478 0.971 0 C-N-CA 125.515 1.526 . . . . 0.0 113.148 -175.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -77.39 153.62 31.22 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.77 2.314 . . . . 0.0 110.493 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -71.49 161.21 31.4 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.168 0.985 . . . . 0.0 112.398 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.23 -39.35 75.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.241 -0.912 . . . . 0.0 111.641 173.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 9.6 p -66.54 -39.37 88.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.578 1.151 . . . . 0.0 112.021 173.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 91.0 m -64.47 -39.36 93.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.865 0.866 . . . . 0.0 111.657 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.31 -41.69 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 72.2 m -73.46 -39.13 65.16 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -77.44 -17.36 58.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.692 0.797 . . . . 0.0 111.943 168.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.82 49.43 0.37 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.638 1.975 . . . . 0.0 112.354 172.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -57.42 155.82 8.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.803 1.641 . . . . 0.0 110.89 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.63 136.68 35.53 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.15 0.58 . . . . 0.0 109.889 172.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.97 152.07 46.02 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.5 0.72 . . . . 0.0 112.801 176.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -114.11 126.27 54.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.1 1.36 . . . . 0.0 109.744 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -95.0 149.39 21.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.096 0.959 . . . . 0.0 112.391 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.33 -170.78 2.17 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.791 2.036 . . . . 0.0 110.413 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -110.28 152.13 26.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.113 -0.992 . . . . 0.0 113.312 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.87 -169.39 21.46 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.975 1.75 . . . . 0.0 112.7 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.14 137.83 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.482 1.513 . . . . 0.0 109.408 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -108.68 144.01 37.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.837 1.255 . . . . 0.0 113.416 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.83 151.2 38.5 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.834 2.054 . . . . 0.0 109.698 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 798' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 831' ' ' MET . 29.5 m-85 -110.38 139.59 45.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.224 1.41 . . . . 0.0 111.66 -171.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.26 151.82 51.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.73 0.812 . . . . 0.0 112.992 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.87 141.4 46.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.918 1.687 . . . . 0.0 111.733 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.3 t -96.56 148.25 34.16 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 126.226 1.81 . . . . 0.0 110.337 172.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.59 -19.01 42.85 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 123.356 2.704 . . . . 0.0 116.333 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.5 p -77.9 -12.18 59.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.091 1.314 . . . . 0.0 114.368 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.37 -9.8 38.87 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.386 1.946 . . . . 0.0 114.831 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.74 155.22 30.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.655 1.727 . . . . 0.0 112.025 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -130.27 156.11 45.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.416 1.486 . . . . 0.0 111.845 -173.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -158.54 173.57 16.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.233 1.413 . . . . 0.0 112.007 169.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.6 mt -139.95 145.18 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 127.018 2.127 . . . . 0.0 108.329 -174.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.7 t -148.53 162.23 40.06 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.974 -1.079 . . . . 0.0 111.629 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 98.1 mt -81.47 -20.97 39.1 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.57 -0.706 . . . . 0.0 112.006 167.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -89.01 164.01 15.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.879 1.272 . . . . 0.0 111.594 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -11.18 22.28 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.2 tp -156.56 135.08 7.51 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 126.405 1.882 . . . . 0.0 109.857 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.82 157.01 61.74 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.496 2.798 . . . . 0.0 111.867 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -16.93 31.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.11 150.84 22.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.591 1.557 . . . . 0.0 113.469 -167.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -81.62 162.95 22.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.298 1.039 . . . . 0.0 111.658 173.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.98 137.84 58.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.683 1.193 . . . . 0.0 113.068 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 3.7 p -85.91 -10.13 55.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.737 1.615 . . . . 0.0 113.427 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 97.6 m -103.97 -40.85 6.05 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.684 1.194 . . . . 0.0 112.688 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.7 p -125.93 -14.42 6.12 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.76 -9.38 68.54 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.123 1.344 . . . . 0.0 116.438 164.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.38 -171.01 3.18 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.768 1.284 . . . . 0.0 113.402 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -132.34 94.58 3.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.672 1.589 . . . . 0.0 109.941 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -140.23 31.13 1.95 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.69 1.596 . . . . 0.0 112.314 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -59.06 130.62 47.91 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.023 -1.048 . . . . 0.0 112.934 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -108.23 132.78 53.31 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.102 1.761 . . . . 0.0 108.988 171.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -75.8 122.46 24.1 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.59 166.1 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.838 1.655 . . . . 0.0 111.778 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -91.61 135.89 13.01 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 123.52 0.581 . . . . 0.0 114.075 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 831' ' ' MET . . . . . 0.444 ' HB3' ' CD2' ' A' ' 798' ' ' PHE . 15.1 tpt -155.33 159.6 40.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.996 2.118 . . . . 0.0 109.665 160.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.89 163.03 22.11 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.959 1.304 . . . . 0.0 113.049 -157.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -69.64 152.25 44.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.967 0.907 . . . . 0.0 112.093 162.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -142.9 159.52 42.08 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.876 2.07 . . . . 0.0 110.536 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.25 144.12 55.97 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.588 1.155 . . . . 0.0 112.617 176.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 32.9 p -123.36 163.46 20.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.055 1.742 . . . . 0.0 111.811 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -88.54 -168.88 44.5 Favored Glycine 0 CA--C 1.543 1.833 0 C-N-CA 124.937 1.256 . . . . 0.0 113.169 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -56.15 147.06 67.49 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.385 3.39 . . . . 0.0 112.976 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -87.14 86.42 7.29 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.137 0.975 . . . . 0.0 111.94 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 11.1 mp -75.24 -29.21 60.16 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.859 1.264 . . . . 0.0 112.15 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -86.37 -178.88 49.57 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.012 1.292 . . . . 0.0 113.533 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.289 0 CA-C-O 117.936 -1.48 . . . . 0.0 114.255 -179.665 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 CA-C-O 119.248 -0.751 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.69 122.42 9.11 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.608 2.872 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 14.0 tpt -174.1 160.47 3.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.21 2.204 . . . . 0.0 109.496 -172.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 90.75 22.54 33.25 Favored Glycine 0 N--CA 1.475 1.245 0 C-N-CA 124.562 1.077 . . . . 0.0 113.99 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -56.35 127.73 32.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.716 1.207 . . . . 0.0 110.951 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 66.95 5.65 4.19 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.792 2.037 . . . . 0.0 113.772 -176.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 49.5 m -91.64 161.89 14.73 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.133 -1.605 . . . . 0.0 112.587 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.78 153.35 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.835 1.654 . . . . 0.0 109.668 -176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -66.06 7.32 0.3 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 135.5 34.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.17 1.788 . . . . 0.0 107.572 166.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -135.79 142.2 44.86 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -148.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 19.7 m -64.33 142.27 58.48 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.767 0.827 . . . . 0.0 112.701 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.37 160.44 42.65 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.83 1.252 . . . . 0.0 111.617 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -87.12 138.99 31.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.526 1.13 . . . . 0.0 110.188 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 14.0 m -140.44 168.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.632 1.973 . . . . 0.0 110.646 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.23 135.65 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.319 1.448 . . . . 0.0 110.606 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 29.7 m -113.14 119.32 37.42 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.269 1.428 . . . . 0.0 110.369 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.9 120.22 21.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.944 0.897 . . . . 0.0 109.376 169.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -80.09 -7.79 59.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.131 . . . . 0.0 112.544 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.7 m -89.98 -47.5 7.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.564 1.146 . . . . 0.0 110.606 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.6 m -96.96 -19.15 18.98 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -172.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 73.14 35.57 0.93 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.566 1.946 . . . . 0.0 114.356 173.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -106.54 161.54 14.52 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.66 1.184 . . . . 0.0 112.274 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 33.6 m -124.07 121.16 34.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.804 1.242 . . . . 0.0 108.711 166.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -129.25 172.97 10.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.584 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -38.92 86.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.921 0.889 . . . . 0.0 111.566 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.98 156.43 70.49 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.814 2.045 . . . . 0.0 110.665 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.42 151.14 25.75 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.486 2.124 . . . . 0.0 110.441 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.43 147.99 51.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.228 0.611 . . . . 0.0 111.769 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.67 -37.11 77.86 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.243 -0.91 . . . . 0.0 111.584 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 4.4 p -68.61 -37.41 79.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 112.821 174.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 73.3 m -66.55 -37.65 85.44 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.346 0.976 . . . . 0.0 112.223 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.48 -47.09 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.795 0.838 . . . . 0.0 111.151 172.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 34.1 m -72.74 -36.32 67.71 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -77.54 -10.32 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.982 0.81 . . . . 0.0 112.835 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.83 39.94 1.82 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.16 1.784 . . . . 0.0 112.762 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -59.65 153.0 21.08 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.796 1.238 . . . . 0.0 110.848 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -84.39 125.58 32.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.31 0.644 . . . . 0.0 110.906 173.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.66 149.06 52.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.564 1.146 . . . . 0.0 111.936 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -110.29 132.95 53.72 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.882 1.273 . . . . 0.0 110.308 171.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -91.45 149.31 21.76 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.841 1.257 . . . . 0.0 111.796 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -168.32 -175.67 2.64 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.652 1.981 . . . . 0.0 111.422 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.0 158.04 18.67 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.884 -1.135 . . . . 0.0 112.828 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.63 -153.53 7.1 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.111 2.291 . . . . 0.0 111.982 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 138.16 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.748 1.619 . . . . 0.0 110.553 174.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -97.36 139.49 33.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.661 1.184 . . . . 0.0 112.56 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -111.44 137.71 48.88 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.687 2.395 . . . . 0.0 108.577 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -102.34 145.04 30.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 110.052 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -135.91 153.2 51.51 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.791 0.837 . . . . 0.0 112.916 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -134.46 141.31 46.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.962 1.705 . . . . 0.0 111.283 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.46 148.44 34.96 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 126.91 2.084 . . . . 0.0 110.295 172.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.41 -20.69 41.46 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.122 3.215 . . . . 0.0 116.345 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.3 p -76.79 -12.37 59.97 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.129 1.331 . . . . 0.0 113.824 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.17 -7.78 41.02 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.511 2.005 . . . . 0.0 114.841 -177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -65.97 154.78 38.48 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.848 1.324 . . . . 0.0 112.185 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -130.88 157.39 43.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.949 1.7 . . . . 0.0 112.141 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -159.93 172.93 16.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.657 1.583 . . . . 0.0 111.29 170.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.9 mt -142.18 140.67 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.15 1.78 . . . . 0.0 108.62 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.3 t -155.13 165.62 36.14 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.077 -1.015 . . . . 0.0 112.252 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.79 -15.94 25.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.182 1.793 . . . . 0.0 111.743 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -85.8 164.38 17.6 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.423 1.489 . . . . 0.0 111.45 170.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.62 59.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.53 125.29 1.38 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 126.824 2.049 . . . . 0.0 108.737 174.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.54 146.61 62.07 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.075 2.517 . . . . 0.0 110.859 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -5.08 58.4 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.6 154.55 17.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.614 1.566 . . . . 0.0 113.528 -175.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -79.47 162.91 25.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 112.541 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.24 135.9 57.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.994 0.902 . . . . 0.0 112.126 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 8.0 p -82.25 -8.95 59.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.227 1.411 . . . . 0.0 114.1 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 95.0 m -104.95 -44.71 4.74 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.699 1.2 . . . . 0.0 112.11 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -121.82 -14.19 8.13 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.67 -6.29 77.2 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 165.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 -167.45 1.88 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.046 1.423 . . . . 0.0 113.055 177.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -132.87 96.55 3.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.394 1.478 . . . . 0.0 110.142 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -144.11 32.05 1.24 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.713 1.605 . . . . 0.0 112.271 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -60.26 140.83 56.83 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.153 -0.967 . . . . 0.0 113.051 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -127.69 132.6 49.64 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.356 1.862 . . . . 0.0 109.232 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 58.8 ttp85 -67.43 129.35 39.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.271 0.628 . . . . 0.0 109.96 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.34 170.88 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.271 1.829 . . . . 0.0 110.152 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -101.96 158.88 18.3 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.116 0.865 . . . . 0.0 113.778 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 6.2 ttp -156.65 141.16 16.77 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 169.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.3 pt? 179.33 137.14 0.1 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.527 2.731 . . . . 0.0 109.015 -170.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -135.79 -8.61 2.12 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -167.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -71.14 -7.43 46.56 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -174.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -73.11 -17.83 61.36 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.445 1.898 . . . . 0.0 112.851 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 86.0 m -119.15 -47.69 2.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.407 1.883 . . . . 0.0 111.159 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 67.47 81.1 0.18 Allowed Glycine 0 CA--C 1.535 1.281 0 CA-C-O 117.877 -1.513 . . . . 0.0 111.068 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -57.73 143.0 96.18 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.126 3.218 . . . . 0.0 114.331 -172.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -92.75 -19.63 21.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.411 1.084 . . . . 0.0 113.041 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 86.5 mt -90.44 161.37 15.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.926 1.69 . . . . 0.0 112.034 -177.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -82.35 179.2 53.25 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.841 1.21 . . . . 0.0 113.021 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.024 1.297 . . . . 0.0 112.474 -179.409 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.376 0 CA-C-O 118.988 -0.896 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.31 158.32 22.96 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 124.685 3.59 . . . . 0.0 113.747 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 25.0 ptp -70.91 156.45 39.59 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -126.9 165.46 20.09 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.865 1.698 . . . . 0.0 112.716 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 98.6 mtp -134.41 143.5 47.62 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.112 1.765 . . . . 0.0 110.345 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -144.15 -59.74 0.39 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.107 0.963 . . . . 0.0 112.071 -175.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 20.0 m -84.33 55.52 3.39 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -165.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 3.0 mm -116.52 138.07 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.142 1.777 . . . . 0.0 109.474 -173.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 -82.74 62.5 6.37 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 123.155 1.455 . . . . 0.0 113.828 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -169.93 165.92 9.5 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 128.012 2.525 . . . . 0.0 111.585 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -151.21 150.46 30.63 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.874 0.87 . . . . 0.0 111.395 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 57.8 p -81.45 149.33 28.82 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -162.96 159.17 23.21 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.528 1.531 . . . . 0.0 110.812 -173.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -73.41 140.86 46.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.738 0.415 . . . . 0.0 111.054 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.16 167.28 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.474 1.909 . . . . 0.0 110.638 -170.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.3 p -145.89 133.43 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.571 0.748 . . . . 0.0 112.597 -169.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 46.4 m -103.84 115.13 29.91 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.569 1.548 . . . . 0.0 109.434 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.21 123.38 23.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 165.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -79.41 -23.64 43.07 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 112.314 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 25.7 m -75.95 -47.06 26.63 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.065 1.346 . . . . 0.0 111.026 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.5 m -96.17 -14.57 22.68 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.5 1.12 . . . . 0.0 113.27 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 68.65 19.35 8.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.467 2.307 . . . . 0.0 114.029 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -85.14 164.78 17.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.05 -1.031 . . . . 0.0 112.64 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.7 m -128.48 121.76 29.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.672 1.189 . . . . 0.0 109.3 167.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -133.52 177.71 7.49 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.143 1.777 . . . . 0.0 111.339 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -73.75 -30.87 63.04 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.367 1.067 . . . . 0.0 112.943 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.68 157.38 58.7 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.904 2.082 . . . . 0.0 110.754 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.66 144.74 50.04 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.86 1.707 . . . . 0.0 109.281 172.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.13 154.58 34.2 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.886 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -62.32 -33.06 73.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.259 1.024 . . . . 0.0 111.191 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 13.2 p -64.11 -45.29 89.27 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.723 1.209 . . . . 0.0 111.321 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.6 -35.81 77.85 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.415 1.086 . . . . 0.0 112.34 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.7 -43.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.674 171.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.4 t -69.09 -44.11 73.17 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -79.11 -5.73 54.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.379 . . . . 0.0 112.81 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 57.22 49.83 12.73 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.065 1.746 . . . . 0.0 112.596 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -62.27 155.73 24.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.823 0.849 . . . . 0.0 110.427 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.36 135.94 33.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.501 -0.75 . . . . 0.0 110.403 172.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 150.62 50.68 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -113.02 121.96 46.2 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.16 1.384 . . . . 0.0 110.205 170.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -83.07 147.34 28.18 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.275 1.03 . . . . 0.0 112.212 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -161.38 -173.35 3.77 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.437 1.895 . . . . 0.0 110.338 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -108.28 145.32 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.178 -0.951 . . . . 0.0 111.996 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -148.87 -163.86 11.17 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 126.166 1.841 . . . . 0.0 112.996 -177.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 88.1 t -136.46 138.53 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.196 1.398 . . . . 0.0 110.456 -178.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -115.34 148.37 39.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.279 1.431 . . . . 0.0 114.282 -175.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.77 153.97 44.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.027 2.131 . . . . 0.0 111.028 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -116.7 135.71 53.55 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.135 1.374 . . . . 0.0 111.198 -166.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.05 146.51 50.41 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.88 143.39 51.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.61 1.564 . . . . 0.0 111.976 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.4 t -100.41 147.85 34.14 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 126.594 1.958 . . . . 0.0 110.522 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.31 -19.47 43.02 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 123.634 2.889 . . . . 0.0 116.462 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -75.5 -13.75 60.39 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 120.464 1.484 . . . . 0.0 113.891 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.19 -7.45 32.7 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.876 2.179 . . . . 0.0 114.297 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -65.5 153.29 41.84 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.103 1.452 . . . . 0.0 112.45 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -133.1 147.93 52.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.162 1.785 . . . . 0.0 111.862 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.3 t -154.14 169.42 23.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.573 1.549 . . . . 0.0 111.55 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.1 mt -132.07 144.75 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.14 1.776 . . . . 0.0 108.396 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 14.2 t -140.93 160.63 39.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.386 -0.821 . . . . 0.0 112.197 172.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.6 mt -84.03 -25.54 29.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.146 0.979 . . . . 0.0 111.687 168.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -85.25 165.85 17.0 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.027 1.331 . . . . 0.0 112.407 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -61.13 -12.8 13.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.569 1.547 . . . . 0.0 115.127 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.0 tp -164.49 142.56 5.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.692 2.397 . . . . 0.0 108.558 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.21 176.83 6.57 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 123.203 2.602 . . . . 0.0 110.913 170.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.31 4.62 1.61 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 8.48 43.3 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 -168.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 29.3 m80 73.99 171.41 0.29 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.545 2.338 . . . . 0.0 112.687 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.41 132.72 42.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 111.899 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 5.8 m -71.36 -17.93 62.4 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.873 1.269 . . . . 0.0 113.106 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 -40.61 4.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.818 1.247 . . . . 0.0 112.87 -167.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -123.07 -12.62 7.91 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.48 -8.75 78.57 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.696 1.141 . . . . 0.0 115.857 163.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.66 -167.09 1.37 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.997 1.398 . . . . 0.0 112.789 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.06 90.06 2.4 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.249 1.419 . . . . 0.0 110.292 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -136.36 26.48 3.17 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.566 1.546 . . . . 0.0 113.018 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.77 131.89 47.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.698 1.199 . . . . 0.0 113.124 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -121.21 132.04 54.59 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.754 2.022 . . . . 0.0 109.472 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -68.04 125.61 26.88 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.838 -0.539 . . . . 0.0 110.542 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 21.4 m -109.77 170.25 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.181 1.792 . . . . 0.0 110.984 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -74.61 178.08 45.93 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.683 1.135 . . . . 0.0 114.621 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.95 142.47 57.26 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.37 1.468 . . . . 0.0 112.118 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.14 141.41 41.91 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.955 1.302 . . . . 0.0 111.362 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -84.64 -21.89 30.1 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.11 142.73 47.51 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.033 1.733 . . . . 0.0 111.642 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -88.68 157.91 18.39 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.247 1.019 . . . . 0.0 112.953 -173.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 34.2 p -77.05 -27.81 54.52 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.452 1.501 . . . . 0.0 113.403 -177.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -175.01 172.67 45.69 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.055 1.312 . . . . 0.0 114.169 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.81 145.32 32.07 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.845 3.03 . . . . 0.0 111.443 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -169.17 170.2 8.84 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.606 1.962 . . . . 0.0 112.059 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.84 146.92 39.49 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.963 0.905 . . . . 0.0 111.209 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -92.79 -15.05 54.05 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.592 1.092 . . . . 0.0 114.317 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.2 0 C-N-CA 125.476 1.512 . . . . 0.0 113.327 -177.779 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.867 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.4 170.81 19.38 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.424 3.416 . . . . 0.0 112.026 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.46 -12.06 61.2 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.48 10.85 81.22 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.958 1.266 . . . . 0.0 114.092 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 37.2 mmt -74.76 -18.29 60.51 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.939 1.296 . . . . 0.0 113.591 -176.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -73.93 -43.67 57.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.985 0.914 . . . . 0.0 111.712 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 47.8 m -143.76 128.19 17.93 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.192 0.997 . . . . 0.0 111.159 -170.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.05 141.72 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.673 1.189 . . . . 0.0 108.816 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -80.4 16.07 1.43 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.57 1.548 . . . . 0.0 114.778 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -142.33 148.4 37.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.127 2.571 . . . . 0.0 107.561 169.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -150.77 149.95 30.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -155.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.2 m -78.63 135.13 37.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.998 0.919 . . . . 0.0 112.729 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 31.6 m -142.03 167.0 23.17 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.449 1.9 . . . . 0.0 110.453 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -73.7 139.31 45.25 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.722 -0.611 . . . . 0.0 110.117 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -137.48 168.85 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 128.606 2.763 . . . . 0.0 109.684 -171.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 13.9 p -137.57 141.91 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 111.508 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 96.1 m -113.01 117.0 30.81 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.053 1.341 . . . . 0.0 108.531 167.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.76 120.14 21.51 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -78.51 -20.92 49.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.317 1.047 . . . . 0.0 112.64 177.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 32.9 m -76.78 -43.78 35.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.445 1.098 . . . . 0.0 111.148 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.15 -17.55 17.35 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.731 1.212 . . . . 0.0 114.234 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 72.51 22.32 3.39 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.452 2.301 . . . . 0.0 113.517 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -88.3 165.33 15.07 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.09 -1.006 . . . . 0.0 112.77 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 135.92 54.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.305 1.442 . . . . 0.0 107.86 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -155.27 174.43 15.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.551 1.14 . . . . 0.0 112.313 -170.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.42 -27.39 52.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.814 0.846 . . . . 0.0 112.305 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -165.4 152.08 9.11 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 127.523 2.329 . . . . 0.0 110.742 -175.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -74.54 155.01 45.22 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.54 2.16 . . . . 0.0 110.538 -177.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -69.3 159.91 32.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.306 1.05 . . . . 0.0 112.381 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -58.26 -38.33 76.71 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.157 0.983 . . . . 0.0 111.121 172.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 6.1 p -69.53 -37.44 77.12 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 112.567 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.2 m -65.96 -41.35 91.35 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.913 0.779 . . . . 0.0 111.566 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.54 -42.91 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.64 0.776 . . . . 0.0 111.031 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.0 t -67.92 -40.1 83.44 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -80.27 -7.59 59.08 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.496 1.118 . . . . 0.0 113.085 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 59.57 49.69 8.18 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.159 1.783 . . . . 0.0 112.323 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -60.34 153.7 22.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.106 0.962 . . . . 0.0 110.635 170.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -85.17 130.25 34.64 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.657 -0.652 . . . . 0.0 110.039 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.12 152.06 49.56 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.811 0.844 . . . . 0.0 113.019 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -117.86 130.79 56.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.179 1.392 . . . . 0.0 110.322 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -99.88 149.14 23.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.811 1.244 . . . . 0.0 112.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -167.02 179.96 4.94 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.48 1.912 . . . . 0.0 110.682 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -95.44 147.9 23.04 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 120.808 -1.182 . . . . 0.0 112.27 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.29 163.54 34.48 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.776 1.655 . . . . 0.0 113.466 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.66 132.66 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.025 0.913 . . . . 0.0 111.24 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -103.13 148.12 26.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.425 1.49 . . . . 0.0 113.255 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.08 149.36 51.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.663 1.985 . . . . 0.0 109.993 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -108.59 151.05 26.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.336 1.054 . . . . 0.0 111.08 -166.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -139.15 149.01 43.97 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.707 0.803 . . . . 0.0 112.535 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -131.4 139.46 49.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.224 1.409 . . . . 0.0 111.751 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.8 t -100.03 148.37 34.75 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 126.405 1.882 . . . . 0.0 110.334 174.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.27 -21.13 50.81 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.554 2.836 . . . . 0.0 115.963 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.7 p -75.81 -10.64 59.6 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 120.281 1.401 . . . . 0.0 114.095 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.44 -8.38 47.93 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.556 2.027 . . . . 0.0 114.493 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -64.33 153.64 37.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.834 1.317 . . . . 0.0 112.368 175.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -129.71 153.06 48.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.995 1.718 . . . . 0.0 111.745 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.6 t -157.07 -178.78 7.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.184 1.394 . . . . 0.0 111.414 169.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.62 146.65 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.894 2.078 . . . . 0.0 108.13 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 12.6 t -136.7 157.79 45.94 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.236 -0.915 . . . . 0.0 111.248 169.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.42 -20.8 29.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.959 0.904 . . . . 0.0 111.701 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.27 169.77 10.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.866 1.666 . . . . 0.0 111.784 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -58.26 -15.62 10.83 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.7 tp -159.32 142.5 10.53 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 126.43 1.892 . . . . 0.0 109.155 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.76 164.66 34.73 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.317 2.678 . . . . 0.0 111.644 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -114.57 -9.69 12.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.544 1.538 . . . . 0.0 114.027 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -88.51 -16.14 33.45 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -153.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.6 m80 70.94 162.29 0.24 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.087 2.155 . . . . 0.0 112.139 -167.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.3 135.58 54.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.602 1.161 . . . . 0.0 112.183 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 26.0 p -83.62 -9.4 58.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.014 1.326 . . . . 0.0 113.718 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 89.3 m -103.0 -46.82 4.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.882 1.273 . . . . 0.0 112.18 -178.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -120.16 -13.88 8.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.62 -11.0 72.06 Favored Glycine 0 N--CA 1.471 0.993 0 C-N-CA 125.086 1.327 . . . . 0.0 116.333 165.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.53 -171.7 3.73 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.016 1.408 . . . . 0.0 113.09 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -128.61 97.54 4.72 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.452 1.501 . . . . 0.0 110.432 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -142.63 29.49 1.55 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.203 1.801 . . . . 0.0 111.886 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -61.33 128.63 37.31 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.231 1.012 . . . . 0.0 112.924 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -107.29 135.37 48.92 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.304 1.842 . . . . 0.0 109.979 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.35 119.57 11.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.145 0.978 . . . . 0.0 110.182 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.09 170.53 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.781 1.232 . . . . 0.0 110.693 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -110.85 158.63 14.26 Favored Glycine 0 N--CA 1.464 0.511 0 C-N-CA 124.07 0.843 . . . . 0.0 114.551 -171.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 5.5 ttp -158.15 142.98 16.38 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 168.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.49 17.26 0.09 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.057 1.343 . . . . 0.0 113.994 -165.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -56.74 112.44 1.3 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.341 1.456 . . . . 0.0 112.788 -170.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -76.39 -159.02 0.11 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.193 1.397 . . . . 0.0 110.55 168.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -69.24 24.91 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 126.493 1.917 . . . . 0.0 116.057 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 6.2 t -64.32 167.72 6.47 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.603 1.961 . . . . 0.0 111.766 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -74.26 151.31 43.45 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.782 1.182 . . . . 0.0 114.412 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -56.93 137.28 11.39 Favored 'Cis proline' 0 N--CA 1.459 -0.543 0 CA-C-N 117.637 0.719 . . . . 0.0 111.863 -24.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.15 151.91 46.72 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -166.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.5 153.74 43.18 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.415 1.486 . . . . 0.0 112.169 -177.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -79.28 165.26 50.25 Favored Glycine 0 N--CA 1.474 1.211 0 C-N-CA 124.406 1.003 . . . . 0.0 113.23 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.256 0 C-N-CA 125.611 1.577 . . . . 0.0 112.795 179.81 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 CA-C-O 119.689 -0.506 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -69.6 -21.43 34.25 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.607 2.872 . . . . 0.0 113.75 -174.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 15.3 tpt -61.02 -26.93 67.96 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.109 0.868 . . . . 0.0 112.722 173.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.35 84.35 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 123.928 0.775 . . . . 0.0 112.81 174.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 77.9 mtm -74.73 -24.31 58.71 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.69 1.196 . . . . 0.0 112.883 174.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -84.8 -9.54 58.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.518 1.527 . . . . 0.0 112.846 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 5.6 t -73.29 173.12 9.97 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.77 147.68 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.14 1.776 . . . . 0.0 110.693 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -27.99 68.01 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -175.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.13 130.37 43.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.435 0.694 . . . . 0.0 109.985 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -143.01 141.23 31.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.346 0.594 . . . . 0.0 112.356 -155.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.8 m -66.26 143.16 57.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.01 0.924 . . . . 0.0 113.193 -175.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.5 t -151.8 161.38 42.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.974 1.31 . . . . 0.0 111.195 -173.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -79.07 140.02 37.98 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 166.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.5 m -143.06 170.39 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.857 2.063 . . . . 0.0 110.21 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.64 140.94 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.404 0.681 . . . . 0.0 112.675 -170.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 98.6 m -115.22 120.45 39.75 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.222 1.409 . . . . 0.0 109.856 171.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.5 t -78.96 124.35 28.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.161 0.984 . . . . 0.0 109.323 166.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -81.63 -18.93 42.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.935 0.894 . . . . 0.0 112.888 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.4 m -79.06 -47.2 16.61 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.741 1.217 . . . . 0.0 111.125 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 65.6 m -94.37 -20.23 19.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.559 1.144 . . . . 0.0 113.427 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 16.1 mttm 78.57 20.21 0.86 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.628 2.371 . . . . 0.0 113.925 166.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -102.94 157.67 16.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.962 1.305 . . . . 0.0 112.442 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.3 m -120.67 132.06 54.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.643 1.577 . . . . 0.0 109.542 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -158.51 -175.89 5.58 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.92 1.688 . . . . 0.0 111.86 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.41 -28.72 64.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.929 1.292 . . . . 0.0 113.359 -175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -157.57 154.48 25.3 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.889 2.076 . . . . 0.0 111.529 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.71 155.15 44.35 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.797 2.332 . . . . 0.0 109.853 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.03 159.19 35.19 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.571 0.7 . . . . 0.0 112.356 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.47 -33.88 74.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.405 -0.809 . . . . 0.0 111.536 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -65.66 -42.27 91.55 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.77 1.228 . . . . 0.0 111.943 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.95 -41.17 95.72 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.264 1.026 . . . . 0.0 111.538 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.58 -45.67 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.802 0.841 . . . . 0.0 111.02 175.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.5 t -70.66 -44.1 67.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.952 0.901 . . . . 0.0 113.191 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -80.41 -5.37 56.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.298 1.039 . . . . 0.0 112.823 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.84 42.27 1.07 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.886 1.674 . . . . 0.0 113.435 166.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -60.92 152.65 26.99 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.553 1.141 . . . . 0.0 110.927 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.45 118.48 24.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.507 0.723 . . . . 0.0 110.024 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.77 151.56 46.55 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.117 0.967 . . . . 0.0 112.535 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -112.89 118.77 35.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.902 1.281 . . . . 0.0 109.804 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -82.92 148.02 27.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.212 1.005 . . . . 0.0 111.257 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -162.77 -176.38 4.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.005 1.722 . . . . 0.0 110.708 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -99.9 148.33 24.58 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.114 0.966 . . . . 0.0 112.567 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.67 -156.77 7.78 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.942 2.211 . . . . 0.0 111.757 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.83 141.61 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.136 1.374 . . . . 0.0 111.509 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -121.01 154.91 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 113.585 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.52 155.42 48.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.092 2.157 . . . . 0.0 110.847 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -117.17 137.8 52.09 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.614 1.566 . . . . 0.0 111.467 -167.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -135.65 150.67 49.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 112.765 -170.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -129.26 145.54 51.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.402 1.881 . . . . 0.0 111.494 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.1 t -97.57 150.79 37.16 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 127.007 2.123 . . . . 0.0 110.967 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.62 -23.33 56.6 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.388 2.725 . . . . 0.0 115.907 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.19 -12.69 60.14 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.14 1.336 . . . . 0.0 114.266 173.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.67 -14.57 35.12 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.751 2.12 . . . . 0.0 114.613 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.52 154.32 21.18 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.878 1.339 . . . . 0.0 112.334 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -129.71 157.61 41.68 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.297 1.439 . . . . 0.0 112.159 -171.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -158.18 174.42 15.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.254 1.422 . . . . 0.0 111.513 170.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.5 mt -137.5 145.13 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 127.122 2.169 . . . . 0.0 107.993 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 16.3 t -142.24 156.77 45.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.086 -1.009 . . . . 0.0 112.069 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.64 -14.06 55.37 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.484 1.114 . . . . 0.0 112.301 166.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -100.91 169.93 8.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.105 1.362 . . . . 0.0 111.469 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -67.12 -5.96 15.58 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -158.85 137.6 7.93 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 126.334 1.853 . . . . 0.0 108.875 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.45 155.27 67.4 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.332 2.688 . . . . 0.0 111.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -17.7 32.64 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 152.33 22.94 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.624 1.57 . . . . 0.0 113.243 -166.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -79.95 164.24 23.66 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.989 0.916 . . . . 0.0 111.617 173.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.25 139.26 58.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.875 1.27 . . . . 0.0 113.263 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 15.8 m -78.97 -16.86 56.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.377 1.071 . . . . 0.0 113.294 174.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.4 m -108.09 -34.98 6.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.73 1.212 . . . . 0.0 112.772 -167.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -128.34 -13.78 4.89 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.04 -5.31 78.71 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 116.477 1.351 . . . . 0.0 116.477 164.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.71 -170.19 2.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.236 1.518 . . . . 0.0 113.082 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -133.04 95.9 3.65 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.366 1.466 . . . . 0.0 110.27 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -140.94 32.17 1.78 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.191 1.796 . . . . 0.0 112.178 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -59.94 140.3 56.8 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.131 0.973 . . . . 0.0 113.209 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -131.1 136.05 48.05 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.747 1.619 . . . . 0.0 109.02 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -73.84 133.2 43.15 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.925 0.49 . . . . 0.0 110.492 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -121.62 176.32 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.478 1.511 . . . . 0.0 111.991 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -75.3 -169.6 25.82 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 125.602 1.572 . . . . 0.0 114.147 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 8.7 ttp -70.54 120.66 16.5 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.633 0.73 . . . . 0.0 111.101 -175.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.443 ' CD2' ' H ' ' A' ' 832' ' ' LEU . 1.1 pt? -66.72 159.45 27.81 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 126.472 1.909 . . . . 0.0 114.138 176.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -126.2 145.09 50.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.246 1.418 . . . . 0.0 112.044 160.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.55 172.0 8.01 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.647 1.179 . . . . 0.0 111.747 165.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -66.39 145.54 55.58 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.211 1.004 . . . . 0.0 111.194 169.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 15.7 p -77.13 164.22 25.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.382 1.473 . . . . 0.0 111.889 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -150.53 -175.51 22.63 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.771 1.653 . . . . 0.0 113.301 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -79.61 -6.09 14.31 Favored 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 124.354 3.37 . . . . 0.0 113.565 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -64.01 146.01 54.87 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 122.084 0.945 . . . . 0.0 113.372 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 34.8 tp -77.02 150.15 35.82 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.519 1.528 . . . . 0.0 111.584 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -83.66 -164.49 36.81 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.219 1.39 . . . . 0.0 113.831 176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.267 0 C-N-CA 125.229 1.395 . . . . 0.0 112.772 -179.731 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -170.63 2.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.688 1.195 . . . . 0.0 111.016 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -158.3 144.02 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.597 1.159 . . . . 0.0 110.91 165.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.9 m -78.28 143.99 36.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 110.921 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.6 t -156.77 157.53 35.22 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.387 1.475 . . . . 0.0 110.428 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -75.72 135.62 40.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.546 0.688 . . . . 0.0 110.03 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.87 173.85 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 128.524 2.73 . . . . 0.0 109.766 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.2 p -149.74 136.27 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.603 0.761 . . . . 0.0 111.629 -169.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 94.4 m -105.32 118.73 37.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.517 1.127 . . . . 0.0 108.889 169.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.64 119.92 16.49 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -78.65 -17.44 55.98 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.112 0.965 . . . . 0.0 112.47 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 31.0 m -84.71 -38.61 19.51 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.881 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 63.7 m -102.96 -16.53 15.81 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 70.93 25.89 3.73 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.282 2.233 . . . . 0.0 114.236 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -102.19 155.7 18.04 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.516 1.126 . . . . 0.0 112.436 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.3 m -116.37 137.9 51.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.282 1.433 . . . . 0.0 109.452 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.87 179.4 9.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.769 1.628 . . . . 0.0 111.513 -176.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.33 -28.42 63.05 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.494 1.118 . . . . 0.0 113.211 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -152.27 160.13 31.79 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.624 1.969 . . . . 0.0 111.02 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.89 147.74 50.37 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.157 1.905 . . . . 0.0 109.249 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.11 156.01 37.25 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.368 1.08 . . . . 0.0 111.886 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.8 -35.34 70.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.36 -0.837 . . . . 0.0 111.823 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -66.63 -41.48 88.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.915 1.286 . . . . 0.0 112.256 171.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.65 -34.64 78.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.038 0.935 . . . . 0.0 112.366 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.5 t -71.76 -42.3 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 0.0 111.074 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 75.7 m -72.02 -42.41 66.39 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.263 1.025 . . . . 0.0 113.39 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -78.31 -12.56 60.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.252 1.021 . . . . 0.0 112.289 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.06 45.17 0.72 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.352 1.861 . . . . 0.0 113.287 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -60.4 155.77 17.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.327 1.451 . . . . 0.0 111.319 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -81.75 139.7 34.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.69 -0.631 . . . . 0.0 110.139 171.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.95 148.41 40.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.38 0.672 . . . . 0.0 112.812 175.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -109.56 123.39 49.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.705 1.202 . . . . 0.0 110.247 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -92.16 149.56 21.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.565 1.146 . . . . 0.0 112.582 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -167.29 173.38 8.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.544 1.938 . . . . 0.0 110.63 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -89.01 148.9 23.51 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.729 -1.232 . . . . 0.0 112.237 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.94 -176.87 25.94 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.087 1.803 . . . . 0.0 113.023 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.05 139.14 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.114 1.366 . . . . 0.0 110.004 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -115.3 151.36 34.7 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.929 1.292 . . . . 0.0 114.235 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -122.94 131.13 53.59 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.433 2.293 . . . . 0.0 109.489 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.06 138.14 40.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.696 1.199 . . . . 0.0 112.336 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -133.8 156.41 48.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.185 0.994 . . . . 0.0 113.585 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -138.64 142.68 39.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.147 1.779 . . . . 0.0 111.53 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.5 t -98.57 147.74 33.58 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.462 1.905 . . . . 0.0 110.703 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.76 -21.16 46.63 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 123.732 2.955 . . . . 0.0 116.041 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.0 p -76.92 -12.41 59.95 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 120.357 1.435 . . . . 0.0 113.972 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.87 -9.37 37.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.61 2.052 . . . . 0.0 114.627 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -62.76 152.15 36.61 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.602 1.701 . . . . 0.0 112.035 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -128.53 155.2 45.25 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.814 1.646 . . . . 0.0 112.184 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.6 t -160.0 173.19 16.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.277 1.431 . . . . 0.0 111.436 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 10.5 mt -140.66 144.84 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 127.196 2.199 . . . . 0.0 107.789 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.2 t -140.64 166.16 25.49 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.111 -0.993 . . . . 0.0 111.502 171.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 99.0 mt -88.08 -17.42 31.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.089 0.955 . . . . 0.0 111.944 166.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -92.4 165.63 12.96 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.231 1.412 . . . . 0.0 112.088 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -10.41 20.27 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.887 1.675 . . . . 0.0 115.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -165.03 136.83 3.37 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 126.325 1.85 . . . . 0.0 109.474 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.79 155.3 53.86 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.663 2.242 . . . . 0.0 110.675 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.25 -25.28 22.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -75.0 148.06 40.23 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 112.978 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -72.34 162.86 28.9 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.539 -0.726 . . . . 0.0 111.477 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.0 134.86 54.81 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 112.82 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.6 m -72.4 -16.58 61.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.312 1.045 . . . . 0.0 113.764 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 94.0 m -105.96 -40.23 5.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.877 1.271 . . . . 0.0 112.525 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.7 p -124.18 -12.58 7.38 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.75 -6.09 82.07 Favored Glycine 0 N--CA 1.474 1.219 0 N-CA-C 116.371 1.308 . . . . 0.0 116.371 164.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.29 -172.19 3.53 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.71 1.255 . . . . 0.0 113.045 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -126.38 100.49 6.29 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.353 1.461 . . . . 0.0 110.492 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -145.55 31.26 1.08 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.842 1.657 . . . . 0.0 112.963 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.58 131.31 50.55 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.696 -1.253 . . . . 0.0 112.368 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -116.52 136.73 52.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.582 1.953 . . . . 0.0 109.476 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.92 127.59 33.13 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.787 0.835 . . . . 0.0 110.379 176.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.0 166.72 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 125.725 1.61 . . . . 0.0 111.768 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.289 0 C-N-CA 124.784 1.183 . . . . 0.0 115.355 -173.427 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.35 161.15 28.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 113.197 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.37 141.11 20.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.662 0.744 . . . . 0.0 112.196 -171.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 23.6 p -76.77 143.91 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.933 1.293 . . . . 0.0 113.814 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 4.3 m -152.51 164.76 36.95 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.492 1.917 . . . . 0.0 111.176 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -76.63 142.07 40.8 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.768 -0.582 . . . . 0.0 109.836 166.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.57 158.23 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.729 2.011 . . . . 0.0 110.873 -174.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 146.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.259 1.423 . . . . 0.0 110.908 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 60.8 m -118.05 117.72 29.98 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.777 1.231 . . . . 0.0 108.847 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.7 t -74.08 118.11 16.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 167.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -77.48 -23.3 50.39 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.433 1.093 . . . . 0.0 111.762 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 33.2 m -75.84 -47.72 24.45 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.992 1.317 . . . . 0.0 110.893 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 83.9 m -93.72 -17.54 23.08 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.8 23.44 3.63 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.389 2.276 . . . . 0.0 114.713 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -97.87 157.3 16.16 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.167 -0.958 . . . . 0.0 113.151 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 23.5 m -115.86 139.01 50.62 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.208 1.803 . . . . 0.0 109.068 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.08 173.43 16.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.547 1.139 . . . . 0.0 112.625 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -67.71 -28.91 68.07 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.156 0.982 . . . . 0.0 112.969 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -164.99 154.52 11.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.656 1.982 . . . . 0.0 112.07 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.16 154.23 25.12 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.11 2.54 . . . . 0.0 111.037 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -72.89 154.7 40.47 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.129 0.966 . . . . 0.0 112.923 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -59.57 -36.41 76.16 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.142 0.977 . . . . 0.0 111.189 171.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.8 p -68.68 -37.69 79.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.519 1.128 . . . . 0.0 112.679 173.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 63.1 m -66.52 -41.94 88.05 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.919 0.781 . . . . 0.0 111.559 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.66 -43.94 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.056 0.943 . . . . 0.0 111.473 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 21.9 t -70.7 -37.77 73.62 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.28 -1.71 46.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.576 1.15 . . . . 0.0 113.175 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 66.05 37.64 5.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.416 1.886 . . . . 0.0 113.129 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.07 150.62 33.28 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.409 1.084 . . . . 0.0 110.721 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -85.27 137.3 33.07 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.507 0.723 . . . . 0.0 110.424 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 159.91 42.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.119 0.962 . . . . 0.0 113.207 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -131.02 133.63 45.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.472 1.109 . . . . 0.0 111.05 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -93.61 154.35 17.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.415 1.086 . . . . 0.0 112.057 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -164.15 178.96 7.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.937 2.095 . . . . 0.0 110.353 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -92.9 146.35 23.7 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.058 -1.026 . . . . 0.0 111.88 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -150.59 -159.91 9.05 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.705 2.098 . . . . 0.0 112.168 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -151.46 133.27 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.634 1.173 . . . . 0.0 111.056 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -108.18 148.51 29.81 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -138.89 140.51 38.42 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.379 1.871 . . . . 0.0 108.904 -167.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -104.98 136.83 43.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 111.999 -167.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -134.58 155.04 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.888 0.875 . . . . 0.0 113.268 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -136.2 142.86 44.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.94 1.696 . . . . 0.0 111.592 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 39.0 t -101.08 146.66 32.54 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 126.521 1.929 . . . . 0.0 110.199 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -17.28 52.91 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.702 2.934 . . . . 0.0 115.867 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.7 p -75.48 -13.23 60.36 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 120.086 1.312 . . . . 0.0 113.976 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.61 36.91 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 126.676 2.084 . . . . 0.0 114.574 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -65.36 151.13 47.02 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.804 1.302 . . . . 0.0 111.887 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -128.35 156.16 43.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.991 1.716 . . . . 0.0 111.551 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 t -160.03 171.62 19.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.056 1.342 . . . . 0.0 111.34 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -139.79 141.52 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.895 2.078 . . . . 0.0 107.872 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 13.5 t -152.2 165.65 34.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.908 0.861 . . . . 0.0 112.43 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.76 -25.02 21.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.58 1.952 . . . . 0.0 111.585 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.49 160.57 23.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.195 1.398 . . . . 0.0 111.923 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -60.09 -18.75 49.27 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.104 1.362 . . . . 0.0 114.196 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 18.4 tp -154.85 137.52 10.18 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 127.853 2.461 . . . . 0.0 108.106 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.13 151.86 61.63 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.555 2.17 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.64 -25.88 24.65 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.89 152.54 24.48 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 113.779 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -78.99 163.52 25.14 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.647 0.779 . . . . 0.0 111.238 170.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.23 143.24 57.97 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.712 1.205 . . . . 0.0 113.048 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.8 m -87.07 -13.66 43.65 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.046 0.939 . . . . 0.0 113.051 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.1 m -100.48 -39.45 7.94 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.936 1.294 . . . . 0.0 111.956 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.2 p -125.83 -15.28 5.98 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.6 -7.17 74.58 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 125.134 1.349 . . . . 0.0 116.092 166.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.53 -170.8 2.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.11 1.455 . . . . 0.0 113.336 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -132.48 91.58 2.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.608 1.563 . . . . 0.0 110.642 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.33 30.18 1.97 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.134 1.374 . . . . 0.0 112.734 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -56.56 135.82 54.56 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.498 1.119 . . . . 0.0 112.062 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.04 132.54 54.16 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.506 1.922 . . . . 0.0 108.96 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.63 125.9 29.67 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 22.2 m -116.4 168.98 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.245 1.418 . . . . 0.0 111.72 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 C-N-CA 124.37 0.986 . . . . 0.0 113.188 -178.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -175.28 154.5 1.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 130.432 3.493 . . . . 0.0 109.676 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.66 139.44 22.87 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.447 0.699 . . . . 0.0 112.5 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.5 m -72.76 141.33 48.11 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.844 0.858 . . . . 0.0 112.383 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.1 m -145.17 170.57 15.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.205 1.802 . . . . 0.0 111.218 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -88.24 142.78 27.48 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 160.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.1 m -139.87 167.56 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 127.007 2.123 . . . . 0.0 110.96 -170.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.6 p -137.0 141.88 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.904 1.281 . . . . 0.0 111.134 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -110.64 117.17 32.77 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.996 1.318 . . . . 0.0 108.47 167.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.1 t -71.89 120.8 18.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 166.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.99 -20.63 45.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.895 0.878 . . . . 0.0 112.522 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 30.4 m -76.55 -43.56 38.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.181 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -100.91 -17.48 16.8 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 74.69 18.87 2.67 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.046 2.538 . . . . 0.0 113.979 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -95.33 157.58 15.83 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.791 -1.193 . . . . 0.0 113.188 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 18.8 m -117.38 134.53 54.72 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.78 1.632 . . . . 0.0 109.929 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -157.57 175.23 14.21 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.643 1.577 . . . . 0.0 111.506 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -38.57 71.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.062 -1.024 . . . . 0.0 112.049 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.4 151.35 78.62 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 126.315 1.846 . . . . 0.0 111.49 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.61 149.46 26.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.126 2.55 . . . . 0.0 109.872 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -67.71 158.95 31.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 122.432 1.11 . . . . 0.0 113.327 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -36.51 78.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.54 1.136 . . . . 0.0 111.913 175.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 20.1 p -65.3 -43.04 92.34 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.957 1.303 . . . . 0.0 111.483 172.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -67.96 -40.21 83.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.343 1.057 . . . . 0.0 112.076 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.19 -41.05 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 111.221 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.8 t -70.95 -43.23 68.57 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -78.02 -7.83 57.39 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.628 1.171 . . . . 0.0 112.771 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 58.5 51.99 7.5 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.036 1.734 . . . . 0.0 112.573 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -60.41 155.5 18.01 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.299 1.04 . . . . 0.0 111.068 168.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -83.36 133.93 34.92 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.222 0.609 . . . . 0.0 110.004 172.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.61 44.67 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.799 0.84 . . . . 0.0 112.042 176.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -110.66 129.03 55.92 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.611 1.164 . . . . 0.0 110.216 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -95.11 151.86 18.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.597 1.159 . . . . 0.0 112.211 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -166.52 179.97 5.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.453 1.901 . . . . 0.0 110.948 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -95.99 155.77 16.61 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.989 -1.069 . . . . 0.0 113.05 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.98 -165.36 17.59 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.991 1.758 . . . . 0.0 112.895 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -150.17 133.74 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.323 1.449 . . . . 0.0 111.017 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -100.01 140.99 33.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.235 . . . . 0.0 113.739 -170.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -114.71 146.26 41.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.757 2.823 . . . . 0.0 109.486 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -111.21 130.66 55.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 112.271 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -129.88 149.13 51.75 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.551 1.141 . . . . 0.0 113.795 -174.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -131.6 146.2 52.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.529 1.532 . . . . 0.0 112.024 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 45.2 t -98.28 149.9 36.19 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 127.365 2.266 . . . . 0.0 110.667 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.83 -23.44 50.59 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.181 2.587 . . . . 0.0 115.811 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.6 p -76.53 -13.96 60.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.99 -10.94 31.92 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.895 1.712 . . . . 0.0 114.712 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -68.94 148.25 50.45 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.689 1.245 . . . . 0.0 111.651 174.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -135.58 157.04 47.86 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.981 1.312 . . . . 0.0 112.584 -172.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -155.11 170.65 21.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.014 1.325 . . . . 0.0 111.992 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.9 mt -139.72 140.27 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.294 1.838 . . . . 0.0 108.351 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.0 t -156.82 176.78 12.29 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.263 1.425 . . . . 0.0 110.592 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.23 -25.1 14.99 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.611 1.165 . . . . 0.0 111.988 -172.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.41 166.58 12.8 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.07 1.0 3.89 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -178.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 13.2 tp -158.39 137.82 8.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.179 1.791 . . . . 0.0 109.137 166.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -71.47 162.11 43.35 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.383 2.722 . . . . 0.0 111.505 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -12.14 35.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -173.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.38 152.28 25.54 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.389 1.476 . . . . 0.0 113.864 -169.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.03 163.56 26.56 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 111.965 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 45.5 t -60.87 135.96 57.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.919 1.287 . . . . 0.0 112.88 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.9 m -77.09 -17.4 58.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.322 1.049 . . . . 0.0 113.166 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 90.3 m -103.6 -33.63 8.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.536 1.134 . . . . 0.0 112.449 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.81 -13.13 3.29 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.78 -7.62 73.91 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 116.485 1.354 . . . . 0.0 116.485 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -173.36 4.1 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.004 1.402 . . . . 0.0 113.241 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.78 85.34 2.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.833 1.653 . . . . 0.0 110.241 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.89 33.77 3.16 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.557 1.543 . . . . 0.0 112.512 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -59.12 138.71 57.45 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.965 1.306 . . . . 0.0 113.101 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -127.82 136.94 52.13 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.98 1.712 . . . . 0.0 110.32 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -65.49 121.85 15.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.984 0.913 . . . . 0.0 110.318 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.9 171.41 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.868 1.667 . . . . 0.0 111.104 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 C-N-CA 123.558 0.599 . . . . 0.0 113.929 -177.658 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.39 157.83 28.49 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.848 2.459 . . . . 0.0 111.048 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.73 140.1 23.33 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.533 0.733 . . . . 0.0 112.631 -168.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 20.9 m -74.29 149.69 40.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.124 0.97 . . . . 0.0 113.132 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.4 t -159.58 165.47 32.77 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.194 1.398 . . . . 0.0 111.512 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -77.01 141.91 40.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.501 -0.749 . . . . 0.0 110.362 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.98 162.69 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.446 1.898 . . . . 0.0 110.582 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.0 p -125.37 139.38 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 125.534 1.534 . . . . 0.0 110.187 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.9 m -107.17 115.43 30.17 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.118 0.967 . . . . 0.0 108.729 163.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.46 118.31 17.27 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -79.31 -23.14 43.72 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 112.171 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.6 m -75.18 -42.14 56.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.767 1.227 . . . . 0.0 111.579 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.22 -16.88 19.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.917 1.287 . . . . 0.0 113.971 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.9 mptt 67.06 57.53 0.61 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.248 2.219 . . . . 0.0 112.966 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.34 158.38 43.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.549 1.139 . . . . 0.0 112.84 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.0 m -113.5 131.81 55.92 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.81 1.644 . . . . 0.0 110.303 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -154.91 177.56 11.16 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.908 1.683 . . . . 0.0 112.246 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.98 -34.53 77.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.84 1.256 . . . . 0.0 113.255 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -159.69 155.54 22.98 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.137 1.775 . . . . 0.0 112.399 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.49 157.34 32.59 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.591 2.194 . . . . 0.0 110.657 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -73.28 158.94 34.18 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.819 0.819 . . . . 0.0 112.074 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.87 -35.55 76.88 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.677 -0.639 . . . . 0.0 111.62 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 16.7 p -65.43 -41.89 93.05 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.684 1.193 . . . . 0.0 112.122 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.6 -41.53 96.16 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 112.128 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.02 -42.3 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.325 0.65 . . . . 0.0 111.601 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 26.0 t -71.01 -43.79 67.21 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -77.97 -9.9 59.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.21 1.004 . . . . 0.0 112.818 172.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 69.19 48.5 0.66 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.37 1.868 . . . . 0.0 112.689 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.25 155.48 11.43 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.051 1.34 . . . . 0.0 110.966 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.21 137.85 33.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.684 0.794 . . . . 0.0 110.072 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.86 152.64 40.59 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -113.08 126.05 55.04 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 109.287 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -91.46 145.96 24.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.328 1.051 . . . . 0.0 111.414 171.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -165.15 -179.73 5.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 111.47 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -96.04 151.59 19.31 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.16 -0.962 . . . . 0.0 111.863 173.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.58 -163.45 11.82 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 126.612 2.053 . . . . 0.0 112.051 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.78 131.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.235 1.414 . . . . 0.0 110.59 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -100.75 146.72 26.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 42.1 mtt85 -138.45 136.56 36.33 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 127.397 2.279 . . . . 0.0 109.282 -163.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.04 131.55 53.96 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.162 0.985 . . . . 0.0 111.564 -164.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -128.9 155.45 45.26 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 113.08 -174.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -134.98 142.25 46.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.81 2.044 . . . . 0.0 111.602 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.45 148.19 34.22 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.402 1.881 . . . . 0.0 110.362 171.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -58.2 -18.42 37.04 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.308 2.672 . . . . 0.0 116.237 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.3 p -77.67 -10.63 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 120.193 1.36 . . . . 0.0 114.261 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.09 -4.57 45.19 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 126.722 2.106 . . . . 0.0 114.79 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -68.61 155.64 39.63 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.797 1.299 . . . . 0.0 111.853 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -128.81 155.68 44.79 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.855 1.662 . . . . 0.0 112.465 -171.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -158.96 172.23 18.59 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.834 1.653 . . . . 0.0 111.416 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.2 mt -138.21 141.28 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.046 1.738 . . . . 0.0 108.447 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 33.3 t -145.62 164.66 31.02 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.161 0.984 . . . . 0.0 111.559 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.72 -10.06 32.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.182 1.793 . . . . 0.0 111.498 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -109.1 174.15 6.0 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.816 2.046 . . . . 0.0 111.271 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -62.71 -10.95 14.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.664 1.586 . . . . 0.0 114.972 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.2 tp -158.29 142.5 11.47 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.242 1.817 . . . . 0.0 109.708 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.6 156.75 57.26 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.428 2.752 . . . . 0.0 111.256 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -16.14 30.44 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -174.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 151.53 22.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 113.892 -162.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -76.99 155.14 32.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.855 0.862 . . . . 0.0 111.27 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.22 141.37 58.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.863 1.265 . . . . 0.0 112.809 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 7.9 t -82.77 -20.42 35.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.229 1.012 . . . . 0.0 112.895 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -97.21 -37.77 9.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.061 1.344 . . . . 0.0 112.428 -171.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.1 p -129.83 -13.0 4.21 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.851 1.796 . . . . 0.0 115.851 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.12 -11.55 69.18 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.759 1.171 . . . . 0.0 116.007 164.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.35 -168.2 2.13 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.083 1.441 . . . . 0.0 113.622 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -136.8 95.2 3.09 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.94 1.696 . . . . 0.0 110.49 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -143.13 31.57 1.38 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.641 1.576 . . . . 0.0 112.367 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -60.14 142.72 53.83 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.419 1.088 . . . . 0.0 113.325 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -130.15 135.93 48.72 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 126.759 2.024 . . . . 0.0 110.077 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.07 130.35 43.05 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.568 0.747 . . . . 0.0 110.366 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.77 175.05 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.442 1.497 . . . . 0.0 110.459 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.19 0 CA-C-O 122.603 1.113 . . . . 0.0 114.839 -173.529 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -158.96 153.5 24.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.058 2.543 . . . . 0.0 110.29 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.51 146.89 31.62 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.523 0.729 . . . . 0.0 111.748 -164.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.2 m -74.39 149.83 40.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.069 0.947 . . . . 0.0 113.095 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.05 170.91 21.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.849 1.26 . . . . 0.0 112.481 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -84.78 141.32 30.59 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 0.0 109.387 164.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.58 167.8 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.39 1.876 . . . . 0.0 110.984 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.8 p -144.52 129.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.609 1.164 . . . . 0.0 111.542 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 55.1 m -96.98 116.23 28.82 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.649 1.179 . . . . 0.0 108.748 168.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.7 117.04 16.09 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.17 -23.6 60.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.923 1.289 . . . . 0.0 111.932 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.8 m -79.05 -42.12 27.18 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.053 1.341 . . . . 0.0 111.781 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.5 -16.67 16.73 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.703 1.201 . . . . 0.0 113.833 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 68.6 49.38 0.74 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.856 2.062 . . . . 0.0 113.033 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -135.32 162.23 33.18 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.459 1.503 . . . . 0.0 112.302 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.4 m -116.41 124.43 50.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.642 1.177 . . . . 0.0 110.727 173.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -126.68 177.52 6.49 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.766 2.027 . . . . 0.0 110.602 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.23 -37.6 72.01 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.396 1.078 . . . . 0.0 111.53 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -142.73 154.11 62.25 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.008 2.123 . . . . 0.0 111.215 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.24 152.38 35.06 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.679 2.252 . . . . 0.0 109.779 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -76.93 159.99 29.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.482 1.134 . . . . 0.0 111.968 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.45 -37.95 79.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.813 0.845 . . . . 0.0 111.563 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.5 p -67.4 -40.94 85.63 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.855 1.262 . . . . 0.0 111.63 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.44 -42.69 95.84 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.233 0.924 . . . . 0.0 111.581 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.11 -43.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.77 0.828 . . . . 0.0 111.113 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.3 t -67.67 -39.54 84.48 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -80.42 -5.75 56.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.062 1.345 . . . . 0.0 112.961 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 65.31 42.41 3.93 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.244 1.818 . . . . 0.0 112.648 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -60.13 150.65 29.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.218 1.007 . . . . 0.0 110.381 171.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -87.05 142.31 28.02 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 110.74 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.46 152.78 44.53 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.309 0.644 . . . . 0.0 112.596 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -110.77 124.82 52.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 109.202 166.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -90.67 148.25 22.74 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.207 1.003 . . . . 0.0 111.873 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -166.46 -170.97 1.78 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.973 2.109 . . . . 0.0 110.622 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -109.72 154.04 23.46 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.696 -1.253 . . . . 0.0 112.887 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.05 -169.51 21.73 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.957 1.741 . . . . 0.0 113.294 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 68.8 t -132.62 132.01 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.219 1.408 . . . . 0.0 110.134 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -102.48 150.69 23.13 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.746 1.218 . . . . 0.0 113.903 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -142.59 139.26 31.27 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.865 2.066 . . . . 0.0 110.382 -160.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -112.32 132.32 55.04 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.329 1.052 . . . . 0.0 112.102 -162.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -132.0 152.96 50.83 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.139 0.975 . . . . 0.0 113.489 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.59 145.46 44.95 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.085 1.754 . . . . 0.0 112.233 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 47.3 t -104.58 148.92 36.82 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 127.299 2.24 . . . . 0.0 110.192 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.11 -19.58 49.83 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.671 2.914 . . . . 0.0 116.115 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.02 -12.44 60.33 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 120.178 1.354 . . . . 0.0 113.95 172.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.24 -7.38 47.5 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.471 1.986 . . . . 0.0 114.602 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -70.77 149.89 46.42 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.184 1.492 . . . . 0.0 112.186 174.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -134.44 160.94 36.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.919 1.287 . . . . 0.0 112.648 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -155.97 174.31 15.52 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.532 1.533 . . . . 0.0 111.597 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.1 mt -134.36 142.54 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.398 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.4 t -140.14 166.88 23.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.629 1.172 . . . . 0.0 111.387 173.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.5 mt -88.07 -18.3 29.22 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.186 0.994 . . . . 0.0 111.865 167.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.05 166.13 14.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.227 1.411 . . . . 0.0 112.455 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -65.52 -10.69 36.94 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.6 tp -164.73 137.94 3.88 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 127.694 2.398 . . . . 0.0 108.824 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.22 156.44 51.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 123.063 2.509 . . . . 0.0 110.547 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -87.68 -27.0 22.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -80.72 153.15 28.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.822 1.249 . . . . 0.0 113.057 -165.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -74.94 162.38 28.66 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.482 -0.761 . . . . 0.0 111.929 167.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.97 135.49 55.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.019 1.328 . . . . 0.0 112.727 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 29.3 m -74.89 -13.83 60.59 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.338 1.055 . . . . 0.0 113.378 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -103.49 -42.2 5.76 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.381 1.072 . . . . 0.0 112.251 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.8 p -123.29 -14.39 7.46 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.78 -5.62 79.56 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.439 1.335 . . . . 0.0 116.439 166.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -173.33 3.75 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.28 1.54 . . . . 0.0 112.653 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -125.42 103.03 7.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.962 1.305 . . . . 0.0 110.137 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -146.46 31.22 0.99 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.147 1.779 . . . . 0.0 112.603 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -60.51 139.46 57.74 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.314 -0.866 . . . . 0.0 112.661 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -130.53 135.86 48.35 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.25 1.82 . . . . 0.0 109.922 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.03 128.36 35.43 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.033 0.533 . . . . 0.0 110.409 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -122.04 172.09 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.306 1.442 . . . . 0.0 110.837 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 C-N-CA 124.686 1.136 . . . . 0.0 114.156 -176.354 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -74.55 140.33 44.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.103 1.361 . . . . 0.0 110.84 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.77 131.32 8.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.76 0.824 . . . . 0.0 109.634 -162.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.7 p -78.2 142.53 37.87 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.834 0.826 . . . . 0.0 112.283 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.8 t -158.5 157.17 31.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.004 1.322 . . . . 0.0 110.438 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -72.96 130.09 39.58 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.902 -0.499 . . . . 0.0 110.093 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.87 158.79 19.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 127.722 2.409 . . . . 0.0 110.296 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.1 p -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.785 1.634 . . . . 0.0 110.845 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 91.4 m -126.46 111.46 14.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 109.36 168.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 30.2 t -75.29 118.06 17.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.762 0.825 . . . . 0.0 109.855 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -83.8 -14.97 50.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.358 1.463 . . . . 0.0 112.501 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.3 m -81.42 -43.45 18.91 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.818 1.247 . . . . 0.0 111.242 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -97.55 -24.17 15.68 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 72.07 65.79 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.456 2.302 . . . . 0.0 112.317 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -146.72 157.05 43.6 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.243 1.017 . . . . 0.0 113.277 170.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.7 m -113.17 137.47 51.41 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.093 1.757 . . . . 0.0 109.044 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.71 172.16 19.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.383 1.073 . . . . 0.0 111.239 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.96 89.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.746 0.818 . . . . 0.0 111.542 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -150.63 151.49 30.69 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.913 2.085 . . . . 0.0 110.103 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -76.67 161.41 33.86 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.423 2.749 . . . . 0.0 110.97 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -69.64 156.48 38.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.775 0.798 . . . . 0.0 112.076 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.57 -37.08 82.56 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.462 -0.774 . . . . 0.0 111.614 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 15.3 p -61.9 -43.43 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.582 1.153 . . . . 0.0 112.195 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 60.8 m -62.8 -39.68 95.01 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.74 0.816 . . . . 0.0 112.224 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 92.3 t -69.66 -45.73 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.827 0.851 . . . . 0.0 111.11 176.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -36.38 75.52 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.43 1.014 . . . . 0.0 113.244 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -79.66 -7.27 58.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.815 0.846 . . . . 0.0 112.611 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 55.99 52.94 9.79 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.174 1.79 . . . . 0.0 112.174 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -60.77 157.3 15.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.237 1.015 . . . . 0.0 111.329 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -81.34 130.91 35.23 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.263 0.625 . . . . 0.0 110.122 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.65 151.02 35.47 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -108.93 142.66 39.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.61 1.164 . . . . 0.0 110.09 168.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -115.63 146.4 41.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.021 1.328 . . . . 0.0 111.66 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -164.07 171.28 15.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.349 1.459 . . . . 0.0 111.232 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -81.52 141.12 34.1 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.217 -0.927 . . . . 0.0 111.616 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -142.21 -169.28 12.07 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 127.005 2.241 . . . . 0.0 111.757 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -148.33 138.91 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.513 1.525 . . . . 0.0 110.5 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -107.14 150.53 26.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.074 1.35 . . . . 0.0 114.568 -166.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -120.22 145.93 46.53 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.213 2.605 . . . . 0.0 110.168 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -119.84 136.39 54.5 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.474 1.109 . . . . 0.0 112.298 -168.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -136.89 157.95 45.58 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.235 1.014 . . . . 0.0 113.213 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -138.89 146.24 40.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.538 . . . . 0.0 111.744 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.37 148.82 35.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.855 2.062 . . . . 0.0 110.697 175.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.12 -21.18 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 124.052 3.168 . . . . 0.0 116.113 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.98 -11.34 59.94 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 120.442 1.474 . . . . 0.0 114.093 172.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.7 -9.43 40.8 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.449 1.975 . . . . 0.0 114.481 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.47 157.05 30.55 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 1.399 . . . . 0.0 112.271 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -125.69 158.66 34.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.892 1.677 . . . . 0.0 112.03 -174.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.2 t -156.61 169.75 23.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.376 1.47 . . . . 0.0 111.136 170.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.2 mt -143.98 143.14 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 126.529 1.931 . . . . 0.0 108.288 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -154.97 169.42 24.11 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.884 0.849 . . . . 0.0 112.523 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -97.69 -10.21 25.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.87 1.668 . . . . 0.0 111.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -97.42 169.66 9.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.019 1.728 . . . . 0.0 111.405 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -12.22 58.01 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 17.3 tp -155.85 138.62 10.53 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 126.895 2.078 . . . . 0.0 108.622 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.66 152.22 64.49 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.097 2.531 . . . . 0.0 111.66 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -22.36 28.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -171.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.24 160.51 17.56 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.84 163.5 26.71 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.693 1.197 . . . . 0.0 112.429 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.63 133.89 56.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.383 1.073 . . . . 0.0 112.135 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.7 p -81.31 -8.84 59.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.92 1.288 . . . . 0.0 113.595 175.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.4 m -105.43 -41.39 5.52 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.935 1.294 . . . . 0.0 112.149 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -126.5 -12.95 6.09 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.66 -8.68 74.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.014 1.292 . . . . 0.0 116.131 164.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.41 -170.23 2.94 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.071 1.436 . . . . 0.0 113.259 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -132.81 101.56 5.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.525 1.53 . . . . 0.0 109.995 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -145.49 30.93 1.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.979 1.711 . . . . 0.0 112.13 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -62.71 137.99 58.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.27 1.028 . . . . 0.0 113.27 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -124.64 139.79 53.54 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.107 1.763 . . . . 0.0 109.312 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -65.32 130.87 44.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.428 1.091 . . . . 0.0 110.31 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -141.98 -173.17 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.147 1.379 . . . . 0.0 111.002 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.987 0 C-N-CA 124.567 1.08 . . . . 0.0 114.321 173.703 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.52 160.0 17.68 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.465 1.506 . . . . 0.0 112.329 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -148.69 143.92 26.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.666 0.746 . . . . 0.0 112.834 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.4 m -76.8 153.31 35.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.956 0.902 . . . . 0.0 113.189 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.0 p -160.43 174.7 13.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.464 1.506 . . . . 0.0 112.411 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -88.88 137.51 32.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.65 0.78 . . . . 0.0 109.124 165.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.28 165.53 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.563 1.945 . . . . 0.0 110.112 -172.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.7 135.55 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.066 0.946 . . . . 0.0 111.95 -172.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 50.6 m -104.84 119.93 40.19 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.484 1.113 . . . . 0.0 108.333 167.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.34 116.26 13.68 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 164.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -76.03 -21.96 56.26 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.081 0.952 . . . . 0.0 112.332 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -71.0 -47.93 56.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.989 1.315 . . . . 0.0 110.946 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.39 -20.63 18.95 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? 74.35 17.17 3.24 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 128.511 2.724 . . . . 0.0 115.116 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -94.33 158.15 15.71 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 120.67 -1.269 . . . . 0.0 112.224 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.3 m -125.5 137.73 53.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.032 1.333 . . . . 0.0 110.474 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.56 -172.47 2.92 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.769 1.628 . . . . 0.0 111.504 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.11 -27.11 62.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.887 1.275 . . . . 0.0 113.444 -172.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -159.14 154.59 22.39 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.469 1.908 . . . . 0.0 112.065 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.48 147.61 41.34 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.735 2.29 . . . . 0.0 110.664 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.5 159.65 33.59 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.39 -35.77 74.55 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.473 -0.767 . . . . 0.0 112.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 8.8 p -67.23 -41.56 85.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.272 1.029 . . . . 0.0 112.038 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.4 -38.47 84.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.337 1.055 . . . . 0.0 111.65 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.3 t -70.04 -43.4 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.022 0.929 . . . . 0.0 111.279 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.8 t -68.98 -41.61 77.64 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.144 0.884 . . . . 0.0 113.267 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -80.62 -9.99 59.76 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.888 0.875 . . . . 0.0 113.052 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.92 52.88 5.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.211 1.804 . . . . 0.0 112.417 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -60.34 157.16 14.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.189 0.996 . . . . 0.0 110.51 169.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -89.11 120.44 30.51 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.215 0.606 . . . . 0.0 109.951 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.18 147.09 46.07 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.132 0.973 . . . . 0.0 112.063 177.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -110.13 124.96 52.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.821 1.248 . . . . 0.0 110.213 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -89.35 149.96 22.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.25 1.02 . . . . 0.0 112.268 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -161.97 -177.55 5.87 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.797 2.039 . . . . 0.0 110.826 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -94.72 148.09 22.65 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.802 -1.186 . . . . 0.0 112.867 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -154.85 -170.04 20.12 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 126.181 1.848 . . . . 0.0 112.835 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.0 t -137.32 136.81 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.33 1.452 . . . . 0.0 109.923 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -107.11 145.07 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.18 1.392 . . . . 0.0 113.01 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.32 150.59 49.52 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.867 . . . . 0.0 110.052 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -113.23 141.85 46.49 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.405 1.482 . . . . 0.0 112.09 -168.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.96 149.49 47.59 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.265 1.026 . . . . 0.0 113.271 -170.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -123.46 144.22 49.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.989 2.116 . . . . 0.0 111.937 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 35.1 t -97.58 152.34 38.12 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.634 1.974 . . . . 0.0 111.082 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -56.75 -24.93 57.97 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.083 2.522 . . . . 0.0 115.482 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.78 -11.33 60.13 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.36 -11.68 51.15 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 126.383 1.944 . . . . 0.0 114.579 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -61.89 156.23 21.35 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.507 1.154 . . . . 0.0 112.579 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -131.08 152.73 50.07 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.101 1.36 . . . . 0.0 111.534 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -158.08 177.44 11.31 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.615 1.166 . . . . 0.0 112.336 173.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.5 142.96 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 126.531 1.932 . . . . 0.0 109.325 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.0 t -140.15 161.22 38.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.755 0.822 . . . . 0.0 111.039 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 78.7 mt -85.99 -17.26 35.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.804 0.842 . . . . 0.0 112.195 165.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -95.46 170.84 9.08 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.383 0.992 . . . . 0.0 111.4 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -63.43 -9.85 14.48 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.3 tp -160.08 149.77 14.55 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.555 1.942 . . . . 0.0 109.363 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.28 176.93 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 124.695 3.597 . . . . 0.0 113.562 169.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 8.79 1.0 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.87 1.668 . . . . 0.0 113.192 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -100.08 -18.65 16.88 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -158.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 66.6 m80 71.6 152.47 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.237 2.615 . . . . 0.0 113.241 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.0 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.252 1.421 . . . . 0.0 112.634 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 42.0 p -85.55 -10.5 55.86 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.053 1.341 . . . . 0.0 113.917 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 53.2 m -104.66 -42.17 5.48 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.741 1.216 . . . . 0.0 112.487 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -123.48 -12.26 7.76 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.98 -10.16 75.05 Favored Glycine 0 N--CA 1.479 1.521 0 C-N-CA 125.595 1.569 . . . . 0.0 115.935 164.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 -169.02 2.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.934 1.367 . . . . 0.0 113.049 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -131.08 106.52 8.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.989 1.316 . . . . 0.0 110.464 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -146.8 29.16 1.01 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.145 1.778 . . . . 0.0 112.212 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -60.89 145.66 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.729 -1.232 . . . . 0.0 114.133 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -132.4 140.67 48.56 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.0 2.12 . . . . 0.0 109.007 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -70.74 136.61 49.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.835 -0.54 . . . . 0.0 111.006 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.96 176.56 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.393 1.477 . . . . 0.0 111.847 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.152 0 C-N-CA 125.013 1.292 . . . . 0.0 115.816 -174.028 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 . . . . . 0 CA--C 1.55 0.959 0 N-CA-C 116.088 1.885 . . . . 0.0 116.088 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -139.84 155.31 47.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.884 2.074 . . . . 0.0 109.766 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -139.29 141.05 37.77 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.283 0.633 . . . . 0.0 112.191 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.1 p -71.74 150.24 44.64 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.178 0.99 . . . . 0.0 112.813 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 33.8 t -157.9 162.35 38.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.362 1.465 . . . . 0.0 110.274 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -84.58 143.15 29.47 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.506 0.722 . . . . 0.0 110.291 168.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 11.8 m -142.77 164.35 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.389 1.876 . . . . 0.0 110.94 -171.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.67 139.03 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 125.881 1.672 . . . . 0.0 110.826 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 63.3 m -109.74 115.59 30.13 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.972 1.309 . . . . 0.0 108.254 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.4 117.05 14.69 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 168.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.42 -21.21 59.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.613 1.165 . . . . 0.0 112.007 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 27.4 m -80.93 -42.55 21.17 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.669 1.188 . . . . 0.0 111.478 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 82.6 m -99.11 -18.64 17.61 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 70.24 34.53 2.32 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.464 2.305 . . . . 0.0 113.75 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.33 158.86 18.55 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.792 1.237 . . . . 0.0 112.219 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 22.1 m -122.11 132.55 54.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.622 1.569 . . . . 0.0 109.694 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -159.51 -178.35 7.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.221 1.408 . . . . 0.0 111.533 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' A' ' 796' ' ' LYS . 1.4 m-85 -70.52 -26.96 63.82 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.916 1.286 . . . . 0.0 113.328 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -158.47 155.67 25.89 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.913 1.685 . . . . 0.0 112.279 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -81.33 160.19 20.02 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.307 2.672 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -75.43 157.9 33.45 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.746 0.784 . . . . 0.0 112.777 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.47 -33.91 74.55 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.719 -0.613 . . . . 0.0 111.457 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 17.7 p -66.25 -41.88 89.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.551 1.14 . . . . 0.0 112.024 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.2 m -63.96 -40.2 95.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.475 0.71 . . . . 0.0 111.554 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.81 -43.29 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.637 0.775 . . . . 0.0 111.555 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 74.4 m -72.25 -38.0 68.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.466 1.107 . . . . 0.0 113.784 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -81.62 -3.91 54.68 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.534 1.134 . . . . 0.0 112.543 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 58.18 49.75 10.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.063 1.745 . . . . 0.0 112.119 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -60.48 151.69 27.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.092 0.957 . . . . 0.0 110.276 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -83.77 138.82 33.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.111 0.564 . . . . 0.0 109.975 172.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.02 37.77 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -108.71 123.97 49.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.717 1.207 . . . . 0.0 109.847 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.32 147.27 23.05 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.014 0.926 . . . . 0.0 112.277 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -163.08 -178.58 6.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -100.07 150.78 22.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.153 -0.967 . . . . 0.0 112.341 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.67 -157.1 7.84 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 126.659 2.076 . . . . 0.0 112.347 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.91 137.56 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.359 1.464 . . . . 0.0 110.902 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 776' ' ' PHE . 11.6 ptmt -111.9 143.3 43.1 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.884 1.273 . . . . 0.0 113.967 -170.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.85 153.69 32.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.338 2.255 . . . . 0.0 110.03 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.78 142.83 43.65 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.421 1.489 . . . . 0.0 110.817 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -137.64 150.57 47.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.794 0.806 . . . . 0.0 113.024 -172.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -130.94 141.84 50.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.219 1.808 . . . . 0.0 111.619 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.74 149.44 35.72 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.21 1.804 . . . . 0.0 110.22 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.41 -21.69 46.42 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.473 2.782 . . . . 0.0 116.053 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -76.02 -10.92 59.81 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.374 1.443 . . . . 0.0 113.817 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.62 -13.9 42.44 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.643 2.068 . . . . 0.0 114.502 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -62.94 158.6 18.8 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.112 1.456 . . . . 0.0 113.007 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -131.51 162.37 30.41 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.224 1.41 . . . . 0.0 112.548 -170.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -161.71 174.64 12.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.951 1.7 . . . . 0.0 110.983 169.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.4 mt -142.29 141.55 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.903 2.081 . . . . 0.0 108.513 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 20.6 t -155.3 168.0 28.5 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.863 0.865 . . . . 0.0 111.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -95.5 -23.73 16.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.241 1.816 . . . . 0.0 110.991 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -85.86 169.81 12.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.037 1.335 . . . . 0.0 111.715 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -61.2 -15.84 38.61 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.53 131.83 3.92 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 127.123 2.169 . . . . 0.0 108.806 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.78 150.92 83.31 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.895 3.063 . . . . 0.0 112.181 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -15.8 45.05 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 168.91 13.63 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -167.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -71.1 162.28 29.69 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.411 1.484 . . . . 0.0 114.604 -175.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.18 131.24 48.81 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.447 1.099 . . . . 0.0 111.878 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 9.9 m -72.32 -13.63 61.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.521 1.128 . . . . 0.0 113.626 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.54 -40.8 5.23 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.005 1.322 . . . . 0.0 112.277 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.86 -13.28 6.94 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.54 -5.2 80.21 Favored Glycine 0 N--CA 1.474 1.229 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 165.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 -169.31 2.54 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.841 1.32 . . . . 0.0 112.724 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -135.98 89.17 2.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.357 1.463 . . . . 0.0 110.178 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -137.32 32.54 2.57 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.528 1.531 . . . . 0.0 112.207 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -59.87 139.61 57.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -125.46 131.93 52.77 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.282 1.833 . . . . 0.0 108.897 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -72.01 129.68 39.12 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.03 0.532 . . . . 0.0 110.281 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -127.98 169.0 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.767 1.627 . . . . 0.0 111.419 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 C-N-CA 124.56 1.076 . . . . 0.0 115.266 -174.543 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -132.62 154.28 50.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.752 2.021 . . . . 0.0 109.647 175.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -141.98 141.96 32.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -161.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.2 p -77.17 145.25 37.81 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.486 0.715 . . . . 0.0 112.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -161.78 167.71 24.43 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.901 1.281 . . . . 0.0 111.845 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -75.86 140.63 42.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 110.785 174.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 13.3 m -139.55 165.52 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 127.636 2.374 . . . . 0.0 110.217 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 137.03 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.944 1.298 . . . . 0.0 111.709 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 90.8 m -106.2 116.94 32.79 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.01 1.324 . . . . 0.0 108.705 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.42 123.45 24.71 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 167.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -81.13 -20.18 41.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.206 1.002 . . . . 0.0 112.417 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -82.55 -38.97 22.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.274 1.43 . . . . 0.0 111.519 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.73 -16.36 16.02 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.313 1.045 . . . . 0.0 113.763 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.71 20.11 4.74 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.379 2.272 . . . . 0.0 113.987 176.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -88.16 162.11 16.89 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.106 -0.996 . . . . 0.0 112.5 172.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 89.9 m -126.29 121.97 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.804 1.242 . . . . 0.0 109.307 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -135.39 178.83 6.73 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.366 1.866 . . . . 0.0 111.054 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -67.31 -32.73 73.89 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.25 1.42 . . . . 0.0 112.751 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -158.89 155.96 25.72 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 126.628 1.971 . . . . 0.0 111.557 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.88 150.48 34.53 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.343 2.029 . . . . 0.0 110.035 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -71.25 159.6 34.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.283 1.039 . . . . 0.0 112.373 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.6 -37.71 76.43 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.826 0.851 . . . . 0.0 111.754 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.8 p -65.34 -42.29 93.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.783 1.233 . . . . 0.0 111.74 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 92.0 m -66.43 -39.22 88.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.129 0.972 . . . . 0.0 112.021 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 88.2 t -69.83 -43.99 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.922 0.889 . . . . 0.0 111.389 173.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.3 t -71.4 -42.47 68.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -75.78 -14.45 60.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.284 1.034 . . . . 0.0 112.695 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 70.5 43.69 0.76 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.11 1.764 . . . . 0.0 112.59 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -58.27 154.17 13.85 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.04 1.336 . . . . 0.0 110.221 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -80.2 138.09 36.78 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.644 0.778 . . . . 0.0 109.815 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.21 150.43 46.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 174.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -112.15 121.0 43.73 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.946 1.298 . . . . 0.0 109.187 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -87.41 148.05 25.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.929 0.891 . . . . 0.0 111.79 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -162.31 178.82 8.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 111.142 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -93.13 145.9 24.06 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.354 -0.841 . . . . 0.0 111.833 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -149.67 -155.08 6.63 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.064 2.268 . . . . 0.0 111.817 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.11 136.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.381 1.473 . . . . 0.0 110.679 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.56 141.1 48.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.822 1.249 . . . . 0.0 112.771 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.47 155.18 44.13 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.874 2.069 . . . . 0.0 110.373 177.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -115.79 146.85 41.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.321 1.448 . . . . 0.0 111.388 -164.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -141.47 149.62 41.19 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.61 138.89 49.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.86 1.664 . . . . 0.0 111.986 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 43.5 t -95.49 148.75 35.11 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 127.201 2.2 . . . . 0.0 110.669 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.4 -18.71 47.42 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.295 2.663 . . . . 0.0 115.967 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.98 -10.55 59.44 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.438 1.472 . . . . 0.0 113.964 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 103.22 -8.99 53.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.724 2.107 . . . . 0.0 114.838 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.02 150.97 47.07 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.241 1.52 . . . . 0.0 111.87 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -135.51 159.53 41.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.657 1.183 . . . . 0.0 112.808 -171.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -154.89 178.64 9.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.553 1.541 . . . . 0.0 111.569 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.18 146.97 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.61 1.964 . . . . 0.0 108.804 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.0 t -147.21 160.75 42.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 122.359 1.076 . . . . 0.0 112.793 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.99 -8.26 43.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.896 2.079 . . . . 0.0 111.758 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -110.88 174.4 5.88 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.858 2.063 . . . . 0.0 111.23 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.08 -10.2 9.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.9 tp -156.79 144.08 13.76 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.292 2.237 . . . . 0.0 109.144 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -69.47 152.62 70.84 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.989 2.459 . . . . 0.0 110.942 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -3.03 53.87 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 155.55 27.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.814 1.646 . . . . 0.0 112.986 -171.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -79.72 165.55 22.7 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.97 1.308 . . . . 0.0 111.963 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.25 133.35 55.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.435 -0.79 . . . . 0.0 112.684 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.0 m -72.93 -16.38 61.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.583 1.153 . . . . 0.0 113.306 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.66 -31.15 8.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.15 1.38 . . . . 0.0 112.325 -169.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 15.6 p -138.92 -13.18 1.24 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.23 5.06 70.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.984 1.154 . . . . 0.0 115.984 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.09 167.66 9.61 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.051 1.426 . . . . 0.0 113.718 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -130.6 49.38 2.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.512 1.525 . . . . 0.0 110.598 166.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -109.84 23.33 14.53 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.35 1.86 . . . . 0.0 113.126 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -46.83 129.61 11.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.789 2.035 . . . . 0.0 114.115 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -106.34 132.24 52.61 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.109 1.763 . . . . 0.0 109.954 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 125.18 23.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.266 0.627 . . . . 0.0 110.547 173.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.82 177.46 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 126.147 1.779 . . . . 0.0 110.159 170.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 115.086 0.794 . . . . 0.0 115.086 -170.693 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -167.7 164.9 14.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.823 2.849 . . . . 0.0 110.305 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -152.73 142.25 21.75 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.55 0.74 . . . . 0.0 111.712 -172.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 21.4 p -70.09 142.42 52.64 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 111.725 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 36.6 t -154.37 155.46 35.1 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.276 1.03 . . . . 0.0 111.505 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -73.54 141.56 46.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 109.989 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 10.8 m -139.51 163.1 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.274 2.23 . . . . 0.0 110.906 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 10.8 p -134.52 141.55 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 126.419 1.888 . . . . 0.0 110.394 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 89.5 m -112.18 117.52 32.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.993 1.317 . . . . 0.0 108.937 168.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.1 t -74.44 123.06 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.562 0.745 . . . . 0.0 109.065 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.47 -17.78 47.49 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.312 -0.867 . . . . 0.0 112.622 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 57.7 m -81.69 -40.41 22.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.441 1.096 . . . . 0.0 111.429 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.83 -16.72 16.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 72.17 22.24 3.69 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.594 2.358 . . . . 0.0 113.533 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -99.2 156.08 17.15 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.445 1.098 . . . . 0.0 112.946 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 59.7 m -120.53 132.13 55.03 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.445 1.498 . . . . 0.0 110.114 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -155.39 -178.35 7.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.11 1.764 . . . . 0.0 111.344 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -68.34 -32.07 71.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 0.0 113.131 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -159.68 154.7 21.44 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.609 1.964 . . . . 0.0 111.574 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -78.08 151.0 26.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.987 2.458 . . . . 0.0 110.599 -175.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -68.09 157.21 35.77 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.485 0.714 . . . . 0.0 112.416 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.06 -31.49 71.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.5 p -66.16 -45.52 80.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.312 1.445 . . . . 0.0 110.992 171.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.96 -41.4 97.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.06 0.944 . . . . 0.0 111.879 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.78 -43.18 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.625 0.77 . . . . 0.0 111.469 175.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -39.62 69.26 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.211 -0.931 . . . . 0.0 113.3 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -80.21 -3.04 47.46 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.669 1.188 . . . . 0.0 112.767 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 22.7 m120 62.46 45.48 6.37 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.88 1.672 . . . . 0.0 113.079 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.09 154.16 20.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.017 0.927 . . . . 0.0 110.756 172.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.94 138.0 32.76 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.913 0.885 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.5 152.17 37.58 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -116.78 137.38 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.871 1.269 . . . . 0.0 110.802 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -103.98 150.83 23.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.664 1.185 . . . . 0.0 112.348 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -164.92 -167.02 1.12 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.701 2.0 . . . . 0.0 110.808 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -115.92 151.15 35.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.608 1.163 . . . . 0.0 112.422 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -151.43 -152.23 5.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 127.532 2.492 . . . . 0.0 112.213 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -150.47 136.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.429 1.492 . . . . 0.0 110.74 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -109.38 144.54 37.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.856 1.262 . . . . 0.0 114.198 -170.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -118.62 146.2 44.83 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.152 2.581 . . . . 0.0 109.944 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -112.11 138.33 48.92 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.374 1.069 . . . . 0.0 112.43 -171.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -133.09 148.74 52.16 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.162 0.985 . . . . 0.0 113.533 -172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -127.87 141.74 51.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.012 1.725 . . . . 0.0 111.535 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 46.5 t -96.85 149.02 35.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.542 1.937 . . . . 0.0 109.992 170.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.72 -19.37 45.75 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.589 2.859 . . . . 0.0 115.764 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.1 p -77.13 -11.19 59.78 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 120.251 1.387 . . . . 0.0 114.005 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.59 -14.61 38.66 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.73 2.109 . . . . 0.0 114.496 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.01 154.76 25.72 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.53 1.165 . . . . 0.0 112.316 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -129.12 156.42 43.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.381 1.472 . . . . 0.0 112.344 -172.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.7 t -155.24 172.59 17.92 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.664 1.586 . . . . 0.0 111.599 168.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.6 mt -140.37 141.69 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.526 1.93 . . . . 0.0 108.699 -175.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.5 t -153.83 172.07 17.93 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.223 -0.923 . . . . 0.0 111.155 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.76 -24.96 18.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.402 1.481 . . . . 0.0 111.834 -175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -91.02 166.3 13.08 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.437 1.495 . . . . 0.0 111.691 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.95 -9.56 16.29 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.326 1.45 . . . . 0.0 114.835 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.26 138.31 10.62 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.049 1.74 . . . . 0.0 109.529 171.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -73.7 160.43 43.85 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.076 2.517 . . . . 0.0 110.873 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.09 21.23 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.97 153.14 19.66 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.386 1.474 . . . . 0.0 113.238 -172.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -80.63 164.66 22.7 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.131 0.972 . . . . 0.0 112.405 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.48 135.87 57.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.888 1.275 . . . . 0.0 112.43 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 12.6 p -82.64 -8.87 59.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.347 1.459 . . . . 0.0 113.74 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.3 m -106.27 -40.32 5.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.046 1.338 . . . . 0.0 112.81 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.3 -13.91 6.02 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.33 -8.02 72.14 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 164.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.13 -172.98 4.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.11 1.455 . . . . 0.0 113.097 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -128.71 100.97 5.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.214 1.405 . . . . 0.0 109.954 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -144.85 29.36 1.22 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.614 1.566 . . . . 0.0 112.343 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -60.6 141.32 56.8 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.341 1.056 . . . . 0.0 113.527 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -130.98 137.54 49.29 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.493 1.917 . . . . 0.0 109.913 176.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -64.88 119.17 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.155 1.382 . . . . 0.0 110.445 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -119.14 168.07 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.428 1.491 . . . . 0.0 110.774 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.873 0 CA-C-O 122.153 0.863 . . . . 0.0 114.855 -177.579 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 115.672 1.731 . . . . 0.0 115.672 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -130.96 133.03 45.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.269 1.828 . . . . 0.0 107.576 164.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -119.6 142.56 48.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -157.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.2 m -62.8 140.04 58.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.991 0.916 . . . . 0.0 112.392 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.6 t -149.6 163.48 37.75 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.655 1.182 . . . . 0.0 111.149 -172.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -90.83 134.57 34.34 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.108 0.963 . . . . 0.0 110.046 169.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.68 170.2 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.889 2.075 . . . . 0.0 110.483 -167.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.5 p -131.82 142.01 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.801 1.24 . . . . 0.0 111.152 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 53.0 m -111.32 116.92 31.79 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.139 0.976 . . . . 0.0 108.683 161.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 37.8 t -75.12 117.92 17.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 168.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.2 -20.29 52.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.297 1.039 . . . . 0.0 112.544 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 36.8 m -76.98 -42.69 37.91 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.693 1.197 . . . . 0.0 111.678 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 86.4 m -99.56 -16.72 18.17 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 55.6 mttm 85.76 6.8 0.4 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.061 2.944 . . . . 0.0 114.57 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -103.22 161.64 13.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.509 1.124 . . . . 0.0 113.999 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 21.9 m -110.51 138.32 47.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.686 1.595 . . . . 0.0 109.95 175.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.87 172.92 16.62 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.723 1.609 . . . . 0.0 112.485 -174.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.69 -33.61 74.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.15 0.98 . . . . 0.0 112.618 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -163.19 153.01 13.09 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 126.721 2.008 . . . . 0.0 111.151 -173.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -75.31 158.1 41.15 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.089 2.526 . . . . 0.0 110.23 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.3 158.23 36.21 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.205 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.16 -32.58 72.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.644 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -69.76 -39.9 76.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.8 1.24 . . . . 0.0 112.194 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.85 -42.45 94.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.301 0.955 . . . . 0.0 111.609 175.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.43 -42.71 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.803 0.841 . . . . 0.0 110.883 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.9 t -68.22 -43.29 78.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.168 0.895 . . . . 0.0 112.847 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.91 -3.8 40.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.078 0.951 . . . . 0.0 113.092 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 57.57 50.59 10.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.294 1.838 . . . . 0.0 112.127 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -61.42 153.18 27.76 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.309 1.044 . . . . 0.0 110.593 169.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -86.25 135.0 33.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.582 0.753 . . . . 0.0 110.227 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.77 153.91 48.46 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.628 0.771 . . . . 0.0 112.396 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -114.17 128.55 56.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.13 1.372 . . . . 0.0 109.232 166.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -91.96 146.09 24.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.343 1.057 . . . . 0.0 111.141 172.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -163.41 178.46 8.06 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.222 1.809 . . . . 0.0 110.978 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.65 154.29 17.41 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 121.14 -0.975 . . . . 0.0 112.839 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.85 -157.87 8.97 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.924 2.202 . . . . 0.0 111.614 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.9 139.29 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.388 1.475 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -111.2 136.83 49.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.844 1.658 . . . . 0.0 112.527 -172.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.36 143.22 35.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.893 1.677 . . . . 0.0 109.22 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -104.28 147.93 26.94 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.673 1.189 . . . . 0.0 110.236 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -135.97 143.51 44.89 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.461 0.704 . . . . 0.0 112.508 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -120.84 141.56 50.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.085 1.754 . . . . 0.0 111.89 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.41 149.23 35.85 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.518 1.927 . . . . 0.0 110.322 168.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -58.17 -22.62 57.57 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.196 2.597 . . . . 0.0 115.503 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -76.09 -12.98 60.21 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 120.218 1.372 . . . . 0.0 114.506 173.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.85 -13.36 34.83 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.363 1.935 . . . . 0.0 114.719 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -61.29 153.74 25.64 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.371 1.585 . . . . 0.0 112.154 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 27.1 mmt-85 -128.91 160.0 34.03 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.104 1.362 . . . . 0.0 112.812 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.1 t -158.44 178.27 10.34 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.276 1.83 . . . . 0.0 110.691 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.7 mt -141.31 146.5 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 126.27 1.828 . . . . 0.0 108.641 -175.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -141.48 159.03 43.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.258 0.623 . . . . 0.0 111.409 170.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.3 mt -82.86 -14.23 54.68 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.593 -0.692 . . . . 0.0 111.881 164.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -100.9 169.05 9.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.109 1.764 . . . . 0.0 112.025 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.41 -13.53 13.93 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.691 1.996 . . . . 0.0 115.238 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.6 tp -161.07 138.9 6.99 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.963 1.705 . . . . 0.0 109.882 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.74 157.57 43.76 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.383 2.722 . . . . 0.0 111.013 172.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -87.47 -27.36 22.72 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.83 147.98 30.18 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.585 1.154 . . . . 0.0 112.974 -164.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -82.08 161.04 23.04 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.906 -1.121 . . . . 0.0 111.683 172.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.41 139.45 58.2 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.814 1.246 . . . . 0.0 113.146 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -80.51 -17.21 52.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.219 1.008 . . . . 0.0 112.941 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 87.4 m -104.36 -36.6 7.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.013 1.325 . . . . 0.0 112.298 -168.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -129.87 -13.6 4.11 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.93 69.61 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.124 1.345 . . . . 0.0 116.011 163.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.64 -170.23 2.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.151 1.475 . . . . 0.0 113.026 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -133.23 95.55 3.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.614 1.565 . . . . 0.0 110.036 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.04 33.63 1.74 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.577 1.551 . . . . 0.0 112.111 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.03 134.53 57.18 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.942 -1.098 . . . . 0.0 113.211 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -119.65 135.6 54.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.134 1.774 . . . . 0.0 109.201 172.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -66.61 131.46 46.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.188 0.595 . . . . 0.0 110.414 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.31 169.65 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.328 1.851 . . . . 0.0 110.091 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 C-N-CA 124.498 1.047 . . . . 0.0 114.585 -177.149 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.1 145.88 12.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 129.924 3.289 . . . . 0.0 108.585 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -127.21 137.93 53.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.935 0.894 . . . . 0.0 112.506 -166.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.9 m -64.7 129.74 40.96 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.4 -0.812 . . . . 0.0 112.157 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 89.0 m -130.31 173.63 10.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.11 1.764 . . . . 0.0 111.723 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -91.2 143.77 26.32 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.484 0.714 . . . . 0.0 109.768 160.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.74 163.13 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 127.459 2.303 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.6 p -135.2 136.88 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.125 1.37 . . . . 0.0 110.876 -174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.0 m -107.8 114.22 28.01 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.81 1.244 . . . . 0.0 108.987 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -75.28 116.68 16.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -78.52 -17.9 55.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.338 1.055 . . . . 0.0 112.001 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.6 m -82.55 -38.55 23.59 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.457 1.503 . . . . 0.0 111.729 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 80.2 m -100.99 -16.43 17.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 68.87 48.67 0.72 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.698 1.999 . . . . 0.0 112.686 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -135.74 160.91 37.07 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.918 1.287 . . . . 0.0 112.516 171.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 29.1 m -119.97 135.95 54.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.527 1.531 . . . . 0.0 110.393 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.83 178.82 9.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.724 1.61 . . . . 0.0 110.563 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -21.16 61.04 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.523 -1.361 . . . . 0.0 114.465 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -155.08 153.42 27.17 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 124.709 1.204 . . . . 0.0 113.224 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -80.6 154.3 20.7 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.456 2.771 . . . . 0.0 109.288 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -76.42 158.98 30.87 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.797 0.808 . . . . 0.0 112.084 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.5 -32.88 72.93 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.623 -0.673 . . . . 0.0 112.172 174.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.9 p -66.32 -43.35 86.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.314 1.046 . . . . 0.0 111.451 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.18 -41.97 96.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.046 0.938 . . . . 0.0 112.088 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.53 -40.88 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.797 0.839 . . . . 0.0 111.096 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 18.0 t -69.66 -43.27 72.91 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.161 0.891 . . . . 0.0 113.205 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.77 -5.74 49.42 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.608 1.163 . . . . 0.0 112.925 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 56.8 51.94 10.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.243 1.817 . . . . 0.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -60.79 153.66 23.85 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.484 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.77 138.34 32.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.533 0.733 . . . . 0.0 110.345 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.12 152.97 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 122.042 0.925 . . . . 0.0 112.783 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -118.25 144.56 45.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.929 1.291 . . . . 0.0 109.757 166.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -105.8 146.97 29.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.08 . . . . 0.0 112.231 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -148.28 177.37 9.48 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.457 2.303 . . . . 0.0 109.854 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -100.2 155.57 17.68 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.374 -1.454 . . . . 0.0 112.841 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -165.98 -156.22 9.25 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.675 1.607 . . . . 0.0 113.163 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.75 135.55 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.11 1.364 . . . . 0.0 110.518 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -100.11 150.26 22.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.713 1.605 . . . . 0.0 113.28 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -120.62 138.01 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.38 2.272 . . . . 0.0 108.971 -169.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -108.69 142.65 38.88 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.382 1.073 . . . . 0.0 112.216 -171.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -137.19 154.85 50.11 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.812 -173.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.84 142.72 47.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.912 1.685 . . . . 0.0 112.268 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . 0.403 ' SG ' ' HD2' ' A' ' 802' ' ' PRO . 48.1 t -100.59 151.23 37.52 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.971 2.108 . . . . 0.0 111.173 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 801' ' ' CYS . 87.1 Cg_exo -46.76 -33.33 13.67 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 124.031 3.154 . . . . 0.0 116.607 173.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.4 p -77.58 -10.06 59.29 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 102.26 -9.03 55.93 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.177 1.846 . . . . 0.0 114.661 -176.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -62.62 154.82 27.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.882 1.341 . . . . 0.0 111.846 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -125.61 157.11 38.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.025 1.73 . . . . 0.0 111.784 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.7 t -155.34 173.86 16.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.649 1.18 . . . . 0.0 111.432 166.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.9 mt -139.78 146.54 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 126.441 1.896 . . . . 0.0 108.748 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.5 t -147.97 168.31 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.849 1.26 . . . . 0.0 111.055 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.7 mt -87.1 -17.53 32.61 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.182 -0.949 . . . . 0.0 112.238 165.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.55 161.26 17.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 112.246 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -64.07 -13.17 45.42 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.55 138.09 10.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 127.221 2.208 . . . . 0.0 108.308 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -71.13 166.11 30.24 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.347 2.698 . . . . 0.0 110.657 174.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 -8.29 12.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.664 1.186 . . . . 0.0 113.75 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -76.04 150.32 37.36 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 112.524 176.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -79.52 165.75 22.66 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.497 -0.752 . . . . 0.0 111.067 167.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 51.1 t -61.9 134.37 56.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.083 0.953 . . . . 0.0 112.791 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -74.09 -15.69 61.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.271 1.029 . . . . 0.0 113.769 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.2 m -106.24 -37.73 6.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 112.762 -171.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.56 -14.06 3.72 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.15 -3.65 76.78 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 164.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -177.23 6.6 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.338 1.569 . . . . 0.0 113.309 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -130.07 97.23 4.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.402 1.481 . . . . 0.0 110.028 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -144.05 27.21 1.46 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.959 1.703 . . . . 0.0 111.927 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -55.05 133.54 48.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.233 1.013 . . . . 0.0 112.947 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -114.11 132.31 56.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.916 1.686 . . . . 0.0 109.448 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -66.01 127.48 32.26 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.48 175.66 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.76 1.624 . . . . 0.0 110.589 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.783 0 C-N-CA 124.577 1.084 . . . . 0.0 114.514 -178.346 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -141.49 157.51 45.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.313 1.845 . . . . 0.0 111.026 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -133.05 148.84 52.21 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.1 0.96 . . . . 0.0 112.725 -168.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 40.9 p -77.55 146.65 36.18 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.787 0.803 . . . . 0.0 111.982 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.0 m -146.65 161.56 40.3 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.439 1.896 . . . . 0.0 110.194 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -78.32 136.93 37.82 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.51 164.26 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 127.69 2.396 . . . . 0.0 109.866 -171.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.1 p -135.0 130.8 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 125.778 1.631 . . . . 0.0 110.643 -172.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 58.9 m -97.97 123.45 41.97 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.09 119.04 15.73 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 164.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -21.51 56.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.238 -0.914 . . . . 0.0 112.276 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.7 m -74.43 -48.91 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.026 1.331 . . . . 0.0 111.102 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.12 -18.86 19.83 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 72.12 23.8 3.31 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 127.63 2.372 . . . . 0.0 114.556 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -100.24 158.17 16.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.361 1.064 . . . . 0.0 112.459 172.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.0 m -119.42 138.11 53.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.257 1.423 . . . . 0.0 111.092 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -154.77 175.44 13.71 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.733 2.013 . . . . 0.0 110.095 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -33.91 73.82 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.718 -1.239 . . . . 0.0 112.812 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -136.73 156.67 75.99 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.363 1.865 . . . . 0.0 111.282 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -69.41 153.01 71.14 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.802 2.334 . . . . 0.0 110.476 172.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.2 160.5 26.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.693 0.797 . . . . 0.0 112.878 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.34 -37.63 78.32 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.662 -0.648 . . . . 0.0 111.52 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.4 p -62.89 -42.53 99.81 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.676 1.19 . . . . 0.0 112.003 173.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.7 m -68.98 -37.98 79.07 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.864 0.866 . . . . 0.0 112.116 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.15 -42.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.972 0.509 . . . . 0.0 110.83 172.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 -42.27 76.55 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -80.57 -7.79 59.36 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.667 1.187 . . . . 0.0 113.132 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 19.1 m120 65.44 44.61 3.06 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.189 1.796 . . . . 0.0 112.367 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -61.52 156.33 19.83 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.64 0.776 . . . . 0.0 110.719 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.75 137.78 32.09 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.345 0.658 . . . . 0.0 110.598 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.25 163.67 29.45 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -139.52 137.18 35.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 112.172 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -102.2 151.52 22.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.446 1.098 . . . . 0.0 113.559 -171.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -169.59 -177.38 2.71 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.173 2.589 . . . . 0.0 109.539 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -113.71 149.78 34.27 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.011 -1.68 . . . . 0.0 113.416 -174.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -162.07 -167.14 22.07 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.482 1.515 . . . . 0.0 114.116 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.52 134.31 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.514 1.526 . . . . 0.0 109.846 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.02 164.44 12.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.988 1.315 . . . . 0.0 113.987 -175.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -133.36 124.92 28.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.689 1.996 . . . . 0.0 109.352 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -98.09 139.42 33.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 111.579 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -132.94 153.77 51.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.686 1.195 . . . . 0.0 113.347 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -133.27 143.59 49.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.375 1.87 . . . . 0.0 111.629 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.95 147.91 34.58 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.752 2.021 . . . . 0.0 110.337 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.98 -19.38 55.23 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.434 2.756 . . . . 0.0 115.898 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -76.19 -12.0 60.02 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.206 1.366 . . . . 0.0 113.964 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 105.6 -8.48 43.68 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.265 1.888 . . . . 0.0 114.243 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.18 153.69 41.76 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 118.928 1.364 . . . . 0.0 111.897 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.84 155.14 44.59 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.944 1.698 . . . . 0.0 111.511 -173.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -157.22 174.82 14.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.917 1.287 . . . . 0.0 111.271 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -140.79 147.06 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.793 1.637 . . . . 0.0 108.806 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.9 t -143.94 175.31 10.12 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.919 -1.113 . . . . 0.0 111.007 170.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.48 -18.74 21.96 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.548 0.739 . . . . 0.0 111.292 162.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -87.53 167.15 14.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.013 1.325 . . . . 0.0 112.31 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -66.87 -13.12 61.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -163.03 136.9 4.66 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.678 1.991 . . . . 0.0 109.283 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -73.56 155.37 50.04 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 123.243 2.629 . . . . 0.0 110.689 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.412 ' H ' ' HD3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -96.39 -17.47 20.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -69.35 145.93 52.55 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.712 1.605 . . . . 0.0 112.729 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -79.92 162.5 24.93 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.307 -0.87 . . . . 0.0 110.709 163.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.2 140.1 58.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.638 1.175 . . . . 0.0 112.771 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.2 m -85.6 -10.26 56.11 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.3 m -102.34 -42.21 6.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.596 1.158 . . . . 0.0 111.989 -175.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.7 p -123.34 -14.81 7.35 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.65 -6.67 74.22 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 165.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -170.25 2.57 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.404 1.602 . . . . 0.0 113.199 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -129.33 101.42 5.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.532 1.533 . . . . 0.0 110.284 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -145.17 29.32 1.18 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 126.287 1.835 . . . . 0.0 112.731 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.13 137.63 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.78 -1.2 . . . . 0.0 113.18 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -122.99 133.05 54.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.611 1.964 . . . . 0.0 109.502 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.27 125.27 25.56 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.369 0.668 . . . . 0.0 110.218 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.4 m -131.09 176.76 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.494 1.518 . . . . 0.0 110.784 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.723 0 C-N-CA 124.421 1.01 . . . . 0.0 114.052 176.171 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.21 140.33 7.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 129.016 2.926 . . . . 0.0 108.45 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -118.91 145.05 46.06 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.726 0.774 . . . . 0.0 112.938 -159.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 50.2 p -76.59 151.6 36.22 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.7 0.762 . . . . 0.0 112.449 175.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -157.31 177.38 11.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 0.0 110.732 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.5 ttm105 -90.77 142.29 27.91 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.779 0.831 . . . . 0.0 109.611 167.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.62 162.68 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.31 1.844 . . . . 0.0 110.38 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.6 p -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.263 1.025 . . . . 0.0 111.477 -173.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 56.6 m -122.09 116.6 24.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.863 1.265 . . . . 0.0 108.806 162.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.0 t -69.96 120.79 16.21 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -80.46 -21.59 41.9 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.995 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.4 m -74.81 -47.2 31.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.063 1.345 . . . . 0.0 110.985 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -98.05 -16.14 19.73 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? 73.25 20.94 3.18 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.887 2.475 . . . . 0.0 114.56 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -97.04 156.49 16.34 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.473 1.109 . . . . 0.0 113.053 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 41.3 m -111.91 142.51 44.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.192 1.797 . . . . 0.0 109.58 173.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.6 168.72 25.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.899 1.28 . . . . 0.0 112.653 -168.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -72.22 -32.34 66.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 112.266 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.21 154.44 16.25 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 127.143 2.177 . . . . 0.0 110.453 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.57 151.96 42.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.644 2.229 . . . . 0.0 111.044 -176.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -69.78 161.96 28.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.903 0.881 . . . . 0.0 113.163 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.56 -36.76 81.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.238 -0.914 . . . . 0.0 112.15 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.2 p -63.87 -43.43 96.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.516 1.126 . . . . 0.0 111.553 171.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.0 -40.09 94.44 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.813 0.845 . . . . 0.0 112.181 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 87.0 t -71.42 -41.97 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.576 0.75 . . . . 0.0 111.665 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 113.015 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -76.66 -9.7 58.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.048 0.939 . . . . 0.0 112.604 173.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 58.7 52.18 7.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.598 1.559 . . . . 0.0 112.256 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.43 157.45 11.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.225 1.01 . . . . 0.0 110.487 169.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -84.53 137.88 33.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.704 -0.623 . . . . 0.0 110.375 173.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.81 148.09 41.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.475 0.655 . . . . 0.0 112.673 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.8 123.11 46.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.235 1.414 . . . . 0.0 109.775 166.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -96.11 149.81 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.805 0.842 . . . . 0.0 111.948 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -161.99 177.56 9.66 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.27 1.828 . . . . 0.0 110.362 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.29 154.99 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.84 -1.162 . . . . 0.0 112.374 174.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.29 -176.19 30.07 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.762 1.649 . . . . 0.0 112.855 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.1 t -126.95 124.61 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.005 1.322 . . . . 0.0 109.542 174.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -82.37 141.15 33.05 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.866 1.266 . . . . 0.0 112.41 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -111.19 134.69 52.59 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 126.14 1.776 . . . . 0.0 109.919 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -100.55 141.85 32.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.945 1.298 . . . . 0.0 111.109 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.55 155.11 50.99 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.206 1.002 . . . . 0.0 112.876 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -138.45 142.41 39.48 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.873 1.669 . . . . 0.0 111.688 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -100.27 147.79 34.01 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 127.015 2.126 . . . . 0.0 110.164 172.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.29 -18.87 47.53 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.416 2.744 . . . . 0.0 115.853 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.9 p -76.53 -12.43 60.03 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 120.62 1.555 . . . . 0.0 114.316 172.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.9 -8.51 39.33 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 126.564 2.03 . . . . 0.0 114.538 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -65.66 155.08 37.03 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.076 1.438 . . . . 0.0 111.832 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -131.45 157.89 42.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.979 1.712 . . . . 0.0 112.147 -171.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.4 t -160.43 173.51 15.49 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.416 1.487 . . . . 0.0 111.357 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 24.9 mt -139.22 142.28 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.661 1.984 . . . . 0.0 108.684 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -143.75 161.19 39.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.495 0.718 . . . . 0.0 111.793 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.83 -14.53 47.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.754 0.821 . . . . 0.0 112.535 166.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -91.31 166.17 13.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.253 1.421 . . . . 0.0 112.404 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -63.16 -14.98 55.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.514 1.526 . . . . 0.0 114.672 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.0 tp -162.28 139.11 6.12 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 127.246 2.218 . . . . 0.0 109.09 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.56 153.92 54.93 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.998 2.465 . . . . 0.0 110.78 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.25 -21.33 20.39 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 147.85 32.51 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.948 1.299 . . . . 0.0 113.214 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -80.8 164.06 22.99 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.263 -0.898 . . . . 0.0 111.692 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.74 139.95 58.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.278 1.031 . . . . 0.0 112.972 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 58.3 m -86.86 -11.86 49.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.263 1.025 . . . . 0.0 112.928 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.2 m -102.3 -41.14 6.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.334 1.454 . . . . 0.0 112.142 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -125.31 -13.62 6.63 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.53 -8.96 71.7 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 164.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -171.89 3.36 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.864 1.332 . . . . 0.0 113.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -129.34 96.3 4.26 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.187 1.395 . . . . 0.0 110.07 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.82 31.53 1.62 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.814 1.645 . . . . 0.0 112.125 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -58.94 134.21 56.74 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.086 -1.009 . . . . 0.0 112.186 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -119.91 135.88 54.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.768 1.627 . . . . 0.0 108.837 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -71.57 131.18 42.87 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.971 0.508 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.7 169.63 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.067 1.747 . . . . 0.0 110.993 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.773 0 C-N-CA 124.511 1.053 . . . . 0.0 113.744 175.624 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 . . . . . 0 CA--C 1.552 1.056 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.69 152.78 48.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.349 1.86 . . . . 0.0 109.897 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -141.55 148.96 40.17 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.631 -0.668 . . . . 0.0 112.743 -165.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 61.0 p -81.32 159.76 24.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.498 1.119 . . . . 0.0 113.597 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -161.04 178.02 9.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.035 1.734 . . . . 0.0 111.707 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -91.39 143.11 26.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.509 0.724 . . . . 0.0 109.795 163.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 32.7 m -137.94 170.78 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 127.088 2.155 . . . . 0.0 110.215 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.5 p -141.44 141.65 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.557 1.143 . . . . 0.0 111.346 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -108.61 116.81 32.68 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.753 1.221 . . . . 0.0 108.831 165.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.4 t -74.39 119.71 18.96 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 166.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.95 -18.53 50.19 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.242 1.017 . . . . 0.0 112.417 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -81.34 -40.04 24.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.445 1.098 . . . . 0.0 111.692 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 73.4 m -100.8 -17.45 16.9 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 74.27 21.15 2.49 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 127.75 2.42 . . . . 0.0 113.499 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -96.55 158.46 15.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.514 -1.366 . . . . 0.0 112.864 174.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.2 m -117.48 135.15 54.12 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 109.42 171.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.1 -178.84 7.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.811 1.244 . . . . 0.0 111.795 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.7 -30.05 65.25 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.22 -0.925 . . . . 0.0 113.148 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -160.26 157.02 24.18 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 126.162 1.785 . . . . 0.0 111.605 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.78 152.76 37.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.462 2.108 . . . . 0.0 110.005 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -70.32 159.05 34.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.587 0.708 . . . . 0.0 111.947 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.84 -32.94 72.32 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 111.74 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.6 p -65.63 -43.67 88.81 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.664 1.186 . . . . 0.0 111.697 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.1 m -63.67 -40.85 97.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.433 1.015 . . . . 0.0 112.012 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.87 -42.75 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.693 0.797 . . . . 0.0 111.236 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.9 t -70.33 -42.06 72.4 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.036 0.934 . . . . 0.0 113.159 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.38 -4.81 44.28 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.423 1.089 . . . . 0.0 112.507 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 58.89 47.32 12.61 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.769 1.628 . . . . 0.0 112.18 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -60.76 152.16 27.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.513 1.125 . . . . 0.0 110.622 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -83.81 138.44 33.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.389 0.676 . . . . 0.0 109.939 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.35 153.24 42.52 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -115.99 128.58 55.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.086 1.354 . . . . 0.0 109.511 169.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.16 150.79 19.99 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.366 1.066 . . . . 0.0 111.901 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -164.38 178.82 7.19 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.538 1.935 . . . . 0.0 110.356 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -95.52 155.07 16.9 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.086 -1.008 . . . . 0.0 112.953 174.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.49 -176.86 30.03 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.648 1.594 . . . . 0.0 113.502 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 65.8 t -130.95 134.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.849 1.66 . . . . 0.0 109.149 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -104.46 148.78 26.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -172.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -114.98 132.65 56.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.539 2.336 . . . . 0.0 109.353 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -100.23 145.46 28.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.08 0.952 . . . . 0.0 111.336 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -135.73 153.45 51.57 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.717 0.807 . . . . 0.0 112.951 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -132.18 142.69 49.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.912 1.685 . . . . 0.0 112.125 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.77 150.2 36.52 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.461 1.905 . . . . 0.0 111.131 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.55 -24.0 59.56 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.399 2.732 . . . . 0.0 115.714 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 15.6 p -75.51 -12.77 60.3 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.75 -9.53 37.6 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.756 1.646 . . . . 0.0 114.78 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -65.54 155.23 36.35 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.724 1.262 . . . . 0.0 112.315 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -128.5 158.7 37.67 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.388 1.475 . . . . 0.0 111.662 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.1 t -157.94 174.99 14.42 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.642 1.577 . . . . 0.0 110.794 170.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.89 143.83 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.789 1.636 . . . . 0.0 108.985 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -140.57 165.95 26.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.227 1.011 . . . . 0.0 111.7 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.81 -9.08 44.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.503 1.121 . . . . 0.0 112.013 165.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.66 167.97 10.63 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.625 1.57 . . . . 0.0 111.509 174.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.49 -13.51 58.98 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.931 1.292 . . . . 0.0 114.125 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.7 tp -155.68 138.63 10.64 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.093 1.757 . . . . 0.0 109.792 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 154.62 54.04 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.552 2.835 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.03 -13.17 39.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 155.9 18.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.585 1.554 . . . . 0.0 113.702 -167.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -81.31 164.91 21.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.2 1.0 . . . . 0.0 111.83 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.34 134.24 56.73 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.382 -0.824 . . . . 0.0 112.313 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.0 m -73.21 -16.96 61.4 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.206 1.002 . . . . 0.0 113.06 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 93.4 m -107.91 -40.62 5.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 112.21 -167.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.87 -11.36 7.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.12 -7.06 81.33 Favored Glycine 0 N--CA 1.474 1.213 0 C-N-CA 125.189 1.376 . . . . 0.0 116.403 163.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -173.22 4.25 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 118.799 1.299 . . . . 0.0 112.615 178.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -129.4 97.25 4.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.239 1.416 . . . . 0.0 109.782 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -141.65 30.64 1.68 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.764 1.625 . . . . 0.0 112.215 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -60.2 132.92 55.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.096 0.959 . . . . 0.0 113.29 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -111.25 134.34 52.92 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.27 1.828 . . . . 0.0 109.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.74 129.24 37.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.972 0.415 . . . . 0.0 110.397 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.0 m -133.22 177.21 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.175 1.79 . . . . 0.0 110.488 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.135 0 C-N-CA 124.459 1.028 . . . . 0.0 113.986 176.191 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 . . . . . 0 CA--C 1.554 1.099 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -151.09 160.71 43.73 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.759 2.423 . . . . 0.0 109.537 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -150.2 146.98 27.16 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 15.1 m -70.43 150.99 45.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.546 1.138 . . . . 0.0 112.713 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.3 t -151.15 161.06 43.42 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.218 1.407 . . . . 0.0 110.511 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -80.84 138.67 36.22 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 160.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.9 167.95 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 -170.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.28 137.79 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.883 1.273 . . . . 0.0 111.061 -171.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 82.7 m -106.8 117.73 34.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.446 1.098 . . . . 0.0 108.336 164.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.05 117.79 16.25 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.9 -23.93 58.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.199 1.0 . . . . 0.0 111.876 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -75.7 -46.78 29.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.931 1.292 . . . . 0.0 111.158 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.8 m -96.1 -17.59 20.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.47 30.87 2.4 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.599 2.359 . . . . 0.0 114.105 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -111.08 157.53 19.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.552 1.141 . . . . 0.0 112.285 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.2 m -118.86 134.21 55.31 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.664 1.586 . . . . 0.0 110.38 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.97 -179.26 7.39 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.517 1.927 . . . . 0.0 110.827 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -22.34 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.702 -1.249 . . . . 0.0 113.82 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -161.28 153.47 16.72 Favored Pre-proline 0 N--CA 1.478 0.971 0 C-N-CA 125.515 1.526 . . . . 0.0 113.148 -175.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -77.39 153.62 31.22 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.77 2.314 . . . . 0.0 110.493 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -71.49 161.21 31.4 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.168 0.985 . . . . 0.0 112.398 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.23 -39.35 75.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.241 -0.912 . . . . 0.0 111.641 173.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 9.6 p -66.54 -39.37 88.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.578 1.151 . . . . 0.0 112.021 173.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 91.0 m -64.47 -39.36 93.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.865 0.866 . . . . 0.0 111.657 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.31 -41.69 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 72.2 m -73.46 -39.13 65.16 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -77.44 -17.36 58.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.692 0.797 . . . . 0.0 111.943 168.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.82 49.43 0.37 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.638 1.975 . . . . 0.0 112.354 172.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -57.42 155.82 8.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.803 1.641 . . . . 0.0 110.89 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.63 136.68 35.53 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.15 0.58 . . . . 0.0 109.889 172.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.97 152.07 46.02 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.5 0.72 . . . . 0.0 112.801 176.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -114.11 126.27 54.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.1 1.36 . . . . 0.0 109.744 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -95.0 149.39 21.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.096 0.959 . . . . 0.0 112.391 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.33 -170.78 2.17 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.791 2.036 . . . . 0.0 110.413 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -110.28 152.13 26.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.113 -0.992 . . . . 0.0 113.312 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.87 -169.39 21.46 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.975 1.75 . . . . 0.0 112.7 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.14 137.83 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.482 1.513 . . . . 0.0 109.408 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -108.68 144.01 37.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.837 1.255 . . . . 0.0 113.416 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.83 151.2 38.5 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.834 2.054 . . . . 0.0 109.698 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -110.38 139.59 45.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.224 1.41 . . . . 0.0 111.66 -171.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.26 151.82 51.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.73 0.812 . . . . 0.0 112.992 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.87 141.4 46.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.918 1.687 . . . . 0.0 111.733 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.3 t -96.56 148.25 34.16 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 126.226 1.81 . . . . 0.0 110.337 172.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.59 -19.01 42.85 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 123.356 2.704 . . . . 0.0 116.333 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.5 p -77.9 -12.18 59.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.091 1.314 . . . . 0.0 114.368 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.37 -9.8 38.87 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.386 1.946 . . . . 0.0 114.831 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.74 155.22 30.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.655 1.727 . . . . 0.0 112.025 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -130.27 156.11 45.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.416 1.486 . . . . 0.0 111.845 -173.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -158.54 173.57 16.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.233 1.413 . . . . 0.0 112.007 169.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.6 mt -139.95 145.18 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 127.018 2.127 . . . . 0.0 108.329 -174.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.7 t -148.53 162.23 40.06 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.974 -1.079 . . . . 0.0 111.629 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 98.1 mt -81.47 -20.97 39.1 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.57 -0.706 . . . . 0.0 112.006 167.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -89.01 164.01 15.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.879 1.272 . . . . 0.0 111.594 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -11.18 22.28 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.2 tp -156.56 135.08 7.51 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 126.405 1.882 . . . . 0.0 109.857 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.82 157.01 61.74 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.496 2.798 . . . . 0.0 111.867 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -16.93 31.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.11 150.84 22.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.591 1.557 . . . . 0.0 113.469 -167.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -81.62 162.95 22.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.298 1.039 . . . . 0.0 111.658 173.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.98 137.84 58.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.683 1.193 . . . . 0.0 113.068 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 3.7 p -85.91 -10.13 55.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.737 1.615 . . . . 0.0 113.427 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 97.6 m -103.97 -40.85 6.05 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.684 1.194 . . . . 0.0 112.688 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.7 p -125.93 -14.42 6.12 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.76 -9.38 68.54 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.123 1.344 . . . . 0.0 116.438 164.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.38 -171.01 3.18 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.768 1.284 . . . . 0.0 113.402 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -132.34 94.58 3.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.672 1.589 . . . . 0.0 109.941 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -140.23 31.13 1.95 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.69 1.596 . . . . 0.0 112.314 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -59.06 130.62 47.91 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.023 -1.048 . . . . 0.0 112.934 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -108.23 132.78 53.31 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.102 1.761 . . . . 0.0 108.988 171.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -75.8 122.46 24.1 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.59 166.1 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.838 1.655 . . . . 0.0 111.778 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.768 0 C-N-CA 123.52 0.581 . . . . 0.0 114.075 -177.537 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 135.5 34.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.17 1.788 . . . . 0.0 107.572 166.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -135.79 142.2 44.86 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -148.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 19.7 m -64.33 142.27 58.48 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.767 0.827 . . . . 0.0 112.701 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.37 160.44 42.65 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.83 1.252 . . . . 0.0 111.617 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -87.12 138.99 31.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.526 1.13 . . . . 0.0 110.188 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 14.0 m -140.44 168.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.632 1.973 . . . . 0.0 110.646 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.23 135.65 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.319 1.448 . . . . 0.0 110.606 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 29.7 m -113.14 119.32 37.42 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.269 1.428 . . . . 0.0 110.369 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.9 120.22 21.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.944 0.897 . . . . 0.0 109.376 169.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -80.09 -7.79 59.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.131 . . . . 0.0 112.544 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.7 m -89.98 -47.5 7.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.564 1.146 . . . . 0.0 110.606 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.6 m -96.96 -19.15 18.98 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -172.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 73.14 35.57 0.93 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.566 1.946 . . . . 0.0 114.356 173.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -106.54 161.54 14.52 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.66 1.184 . . . . 0.0 112.274 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 33.6 m -124.07 121.16 34.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.804 1.242 . . . . 0.0 108.711 166.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -129.25 172.97 10.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.584 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -38.92 86.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.921 0.889 . . . . 0.0 111.566 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.98 156.43 70.49 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.814 2.045 . . . . 0.0 110.665 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.42 151.14 25.75 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.486 2.124 . . . . 0.0 110.441 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.43 147.99 51.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.228 0.611 . . . . 0.0 111.769 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.67 -37.11 77.86 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.243 -0.91 . . . . 0.0 111.584 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 4.4 p -68.61 -37.41 79.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 112.821 174.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 73.3 m -66.55 -37.65 85.44 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.346 0.976 . . . . 0.0 112.223 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.48 -47.09 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.795 0.838 . . . . 0.0 111.151 172.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 34.1 m -72.74 -36.32 67.71 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -77.54 -10.32 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.982 0.81 . . . . 0.0 112.835 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.83 39.94 1.82 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.16 1.784 . . . . 0.0 112.762 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -59.65 153.0 21.08 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.796 1.238 . . . . 0.0 110.848 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -84.39 125.58 32.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.31 0.644 . . . . 0.0 110.906 173.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.66 149.06 52.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.564 1.146 . . . . 0.0 111.936 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -110.29 132.95 53.72 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.882 1.273 . . . . 0.0 110.308 171.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -91.45 149.31 21.76 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.841 1.257 . . . . 0.0 111.796 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -168.32 -175.67 2.64 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.652 1.981 . . . . 0.0 111.422 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.0 158.04 18.67 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.884 -1.135 . . . . 0.0 112.828 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.63 -153.53 7.1 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.111 2.291 . . . . 0.0 111.982 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 138.16 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.748 1.619 . . . . 0.0 110.553 174.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -97.36 139.49 33.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.661 1.184 . . . . 0.0 112.56 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -111.44 137.71 48.88 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.687 2.395 . . . . 0.0 108.577 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -102.34 145.04 30.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 110.052 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -135.91 153.2 51.51 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.791 0.837 . . . . 0.0 112.916 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -134.46 141.31 46.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.962 1.705 . . . . 0.0 111.283 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.46 148.44 34.96 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 126.91 2.084 . . . . 0.0 110.295 172.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.41 -20.69 41.46 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.122 3.215 . . . . 0.0 116.345 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.3 p -76.79 -12.37 59.97 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.129 1.331 . . . . 0.0 113.824 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.17 -7.78 41.02 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.511 2.005 . . . . 0.0 114.841 -177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -65.97 154.78 38.48 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.848 1.324 . . . . 0.0 112.185 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -130.88 157.39 43.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.949 1.7 . . . . 0.0 112.141 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -159.93 172.93 16.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.657 1.583 . . . . 0.0 111.29 170.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.9 mt -142.18 140.67 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.15 1.78 . . . . 0.0 108.62 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.3 t -155.13 165.62 36.14 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.077 -1.015 . . . . 0.0 112.252 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.79 -15.94 25.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.182 1.793 . . . . 0.0 111.743 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -85.8 164.38 17.6 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.423 1.489 . . . . 0.0 111.45 170.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.62 59.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.53 125.29 1.38 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 126.824 2.049 . . . . 0.0 108.737 174.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.54 146.61 62.07 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.075 2.517 . . . . 0.0 110.859 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -5.08 58.4 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.6 154.55 17.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.614 1.566 . . . . 0.0 113.528 -175.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -79.47 162.91 25.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 112.541 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.24 135.9 57.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.994 0.902 . . . . 0.0 112.126 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 8.0 p -82.25 -8.95 59.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.227 1.411 . . . . 0.0 114.1 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 95.0 m -104.95 -44.71 4.74 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.699 1.2 . . . . 0.0 112.11 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -121.82 -14.19 8.13 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.67 -6.29 77.2 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 165.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 -167.45 1.88 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.046 1.423 . . . . 0.0 113.055 177.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -132.87 96.55 3.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.394 1.478 . . . . 0.0 110.142 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -144.11 32.05 1.24 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.713 1.605 . . . . 0.0 112.271 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -60.26 140.83 56.83 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.153 -0.967 . . . . 0.0 113.051 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -127.69 132.6 49.64 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.356 1.862 . . . . 0.0 109.232 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 58.8 ttp85 -67.43 129.35 39.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.271 0.628 . . . . 0.0 109.96 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.34 170.88 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.271 1.829 . . . . 0.0 110.152 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.85 0 C-N-CA 124.116 0.865 . . . . 0.0 113.778 -179.706 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 123.155 1.455 . . . . 0.0 113.828 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -169.93 165.92 9.5 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 128.012 2.525 . . . . 0.0 111.585 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -151.21 150.46 30.63 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.874 0.87 . . . . 0.0 111.395 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 57.8 p -81.45 149.33 28.82 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -162.96 159.17 23.21 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.528 1.531 . . . . 0.0 110.812 -173.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -73.41 140.86 46.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.738 0.415 . . . . 0.0 111.054 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.16 167.28 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.474 1.909 . . . . 0.0 110.638 -170.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.3 p -145.89 133.43 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.571 0.748 . . . . 0.0 112.597 -169.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 46.4 m -103.84 115.13 29.91 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.569 1.548 . . . . 0.0 109.434 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.21 123.38 23.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 165.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -79.41 -23.64 43.07 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 112.314 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 25.7 m -75.95 -47.06 26.63 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.065 1.346 . . . . 0.0 111.026 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.5 m -96.17 -14.57 22.68 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.5 1.12 . . . . 0.0 113.27 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 68.65 19.35 8.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.467 2.307 . . . . 0.0 114.029 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -85.14 164.78 17.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.05 -1.031 . . . . 0.0 112.64 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.7 m -128.48 121.76 29.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.672 1.189 . . . . 0.0 109.3 167.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -133.52 177.71 7.49 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.143 1.777 . . . . 0.0 111.339 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -73.75 -30.87 63.04 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.367 1.067 . . . . 0.0 112.943 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.68 157.38 58.7 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.904 2.082 . . . . 0.0 110.754 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.66 144.74 50.04 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.86 1.707 . . . . 0.0 109.281 172.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.13 154.58 34.2 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.886 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -62.32 -33.06 73.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.259 1.024 . . . . 0.0 111.191 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 13.2 p -64.11 -45.29 89.27 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.723 1.209 . . . . 0.0 111.321 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.6 -35.81 77.85 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.415 1.086 . . . . 0.0 112.34 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.7 -43.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.674 171.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.4 t -69.09 -44.11 73.17 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -79.11 -5.73 54.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.379 . . . . 0.0 112.81 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 57.22 49.83 12.73 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.065 1.746 . . . . 0.0 112.596 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -62.27 155.73 24.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.823 0.849 . . . . 0.0 110.427 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.36 135.94 33.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.501 -0.75 . . . . 0.0 110.403 172.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 150.62 50.68 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -113.02 121.96 46.2 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.16 1.384 . . . . 0.0 110.205 170.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -83.07 147.34 28.18 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.275 1.03 . . . . 0.0 112.212 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -161.38 -173.35 3.77 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.437 1.895 . . . . 0.0 110.338 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -108.28 145.32 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.178 -0.951 . . . . 0.0 111.996 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -148.87 -163.86 11.17 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 126.166 1.841 . . . . 0.0 112.996 -177.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 88.1 t -136.46 138.53 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.196 1.398 . . . . 0.0 110.456 -178.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -115.34 148.37 39.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.279 1.431 . . . . 0.0 114.282 -175.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.77 153.97 44.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.027 2.131 . . . . 0.0 111.028 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -116.7 135.71 53.55 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.135 1.374 . . . . 0.0 111.198 -166.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.05 146.51 50.41 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.88 143.39 51.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.61 1.564 . . . . 0.0 111.976 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.4 t -100.41 147.85 34.14 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 126.594 1.958 . . . . 0.0 110.522 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.31 -19.47 43.02 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 123.634 2.889 . . . . 0.0 116.462 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -75.5 -13.75 60.39 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 120.464 1.484 . . . . 0.0 113.891 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.19 -7.45 32.7 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.876 2.179 . . . . 0.0 114.297 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -65.5 153.29 41.84 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.103 1.452 . . . . 0.0 112.45 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -133.1 147.93 52.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.162 1.785 . . . . 0.0 111.862 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.3 t -154.14 169.42 23.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.573 1.549 . . . . 0.0 111.55 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.1 mt -132.07 144.75 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.14 1.776 . . . . 0.0 108.396 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 14.2 t -140.93 160.63 39.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.386 -0.821 . . . . 0.0 112.197 172.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.6 mt -84.03 -25.54 29.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.146 0.979 . . . . 0.0 111.687 168.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -85.25 165.85 17.0 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.027 1.331 . . . . 0.0 112.407 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -61.13 -12.8 13.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.569 1.547 . . . . 0.0 115.127 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.0 tp -164.49 142.56 5.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.692 2.397 . . . . 0.0 108.558 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.21 176.83 6.57 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 123.203 2.602 . . . . 0.0 110.913 170.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.31 4.62 1.61 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 8.48 43.3 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 -168.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 29.3 m80 73.99 171.41 0.29 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.545 2.338 . . . . 0.0 112.687 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.41 132.72 42.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 111.899 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 5.8 m -71.36 -17.93 62.4 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.873 1.269 . . . . 0.0 113.106 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 -40.61 4.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.818 1.247 . . . . 0.0 112.87 -167.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -123.07 -12.62 7.91 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.48 -8.75 78.57 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.696 1.141 . . . . 0.0 115.857 163.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.66 -167.09 1.37 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.997 1.398 . . . . 0.0 112.789 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.06 90.06 2.4 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.249 1.419 . . . . 0.0 110.292 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -136.36 26.48 3.17 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.566 1.546 . . . . 0.0 113.018 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.77 131.89 47.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.698 1.199 . . . . 0.0 113.124 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -121.21 132.04 54.59 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.754 2.022 . . . . 0.0 109.472 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -68.04 125.61 26.88 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.838 -0.539 . . . . 0.0 110.542 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 21.4 m -109.77 170.25 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.181 1.792 . . . . 0.0 110.984 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 C-N-CA 124.683 1.135 . . . . 0.0 114.621 -172.651 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -142.33 148.4 37.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.127 2.571 . . . . 0.0 107.561 169.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -150.77 149.95 30.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -155.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.2 m -78.63 135.13 37.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.998 0.919 . . . . 0.0 112.729 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 31.6 m -142.03 167.0 23.17 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.449 1.9 . . . . 0.0 110.453 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -73.7 139.31 45.25 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.722 -0.611 . . . . 0.0 110.117 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -137.48 168.85 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 128.606 2.763 . . . . 0.0 109.684 -171.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 13.9 p -137.57 141.91 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 111.508 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 96.1 m -113.01 117.0 30.81 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.053 1.341 . . . . 0.0 108.531 167.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.76 120.14 21.51 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -78.51 -20.92 49.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.317 1.047 . . . . 0.0 112.64 177.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 32.9 m -76.78 -43.78 35.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.445 1.098 . . . . 0.0 111.148 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.15 -17.55 17.35 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.731 1.212 . . . . 0.0 114.234 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 72.51 22.32 3.39 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.452 2.301 . . . . 0.0 113.517 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -88.3 165.33 15.07 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.09 -1.006 . . . . 0.0 112.77 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 135.92 54.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.305 1.442 . . . . 0.0 107.86 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -155.27 174.43 15.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.551 1.14 . . . . 0.0 112.313 -170.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.42 -27.39 52.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.814 0.846 . . . . 0.0 112.305 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -165.4 152.08 9.11 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 127.523 2.329 . . . . 0.0 110.742 -175.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -74.54 155.01 45.22 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.54 2.16 . . . . 0.0 110.538 -177.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -69.3 159.91 32.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.306 1.05 . . . . 0.0 112.381 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -58.26 -38.33 76.71 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.157 0.983 . . . . 0.0 111.121 172.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 6.1 p -69.53 -37.44 77.12 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 112.567 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.2 m -65.96 -41.35 91.35 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.913 0.779 . . . . 0.0 111.566 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.54 -42.91 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.64 0.776 . . . . 0.0 111.031 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.0 t -67.92 -40.1 83.44 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -80.27 -7.59 59.08 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.496 1.118 . . . . 0.0 113.085 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 59.57 49.69 8.18 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.159 1.783 . . . . 0.0 112.323 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -60.34 153.7 22.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.106 0.962 . . . . 0.0 110.635 170.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -85.17 130.25 34.64 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.657 -0.652 . . . . 0.0 110.039 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.12 152.06 49.56 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.811 0.844 . . . . 0.0 113.019 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -117.86 130.79 56.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.179 1.392 . . . . 0.0 110.322 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -99.88 149.14 23.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.811 1.244 . . . . 0.0 112.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -167.02 179.96 4.94 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.48 1.912 . . . . 0.0 110.682 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -95.44 147.9 23.04 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 120.808 -1.182 . . . . 0.0 112.27 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.29 163.54 34.48 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.776 1.655 . . . . 0.0 113.466 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.66 132.66 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.025 0.913 . . . . 0.0 111.24 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -103.13 148.12 26.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.425 1.49 . . . . 0.0 113.255 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.08 149.36 51.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.663 1.985 . . . . 0.0 109.993 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -108.59 151.05 26.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.336 1.054 . . . . 0.0 111.08 -166.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -139.15 149.01 43.97 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.707 0.803 . . . . 0.0 112.535 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -131.4 139.46 49.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.224 1.409 . . . . 0.0 111.751 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.8 t -100.03 148.37 34.75 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 126.405 1.882 . . . . 0.0 110.334 174.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.27 -21.13 50.81 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.554 2.836 . . . . 0.0 115.963 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.7 p -75.81 -10.64 59.6 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 120.281 1.401 . . . . 0.0 114.095 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.44 -8.38 47.93 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.556 2.027 . . . . 0.0 114.493 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -64.33 153.64 37.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.834 1.317 . . . . 0.0 112.368 175.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -129.71 153.06 48.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.995 1.718 . . . . 0.0 111.745 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.6 t -157.07 -178.78 7.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.184 1.394 . . . . 0.0 111.414 169.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.62 146.65 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.894 2.078 . . . . 0.0 108.13 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 12.6 t -136.7 157.79 45.94 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.236 -0.915 . . . . 0.0 111.248 169.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.42 -20.8 29.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.959 0.904 . . . . 0.0 111.701 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.27 169.77 10.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.866 1.666 . . . . 0.0 111.784 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -58.26 -15.62 10.83 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.7 tp -159.32 142.5 10.53 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 126.43 1.892 . . . . 0.0 109.155 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.76 164.66 34.73 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.317 2.678 . . . . 0.0 111.644 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -114.57 -9.69 12.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.544 1.538 . . . . 0.0 114.027 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -88.51 -16.14 33.45 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -153.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.6 m80 70.94 162.29 0.24 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.087 2.155 . . . . 0.0 112.139 -167.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.3 135.58 54.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.602 1.161 . . . . 0.0 112.183 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 26.0 p -83.62 -9.4 58.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.014 1.326 . . . . 0.0 113.718 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 89.3 m -103.0 -46.82 4.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.882 1.273 . . . . 0.0 112.18 -178.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -120.16 -13.88 8.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.62 -11.0 72.06 Favored Glycine 0 N--CA 1.471 0.993 0 C-N-CA 125.086 1.327 . . . . 0.0 116.333 165.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.53 -171.7 3.73 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.016 1.408 . . . . 0.0 113.09 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -128.61 97.54 4.72 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.452 1.501 . . . . 0.0 110.432 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -142.63 29.49 1.55 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.203 1.801 . . . . 0.0 111.886 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -61.33 128.63 37.31 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.231 1.012 . . . . 0.0 112.924 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -107.29 135.37 48.92 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.304 1.842 . . . . 0.0 109.979 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.35 119.57 11.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.145 0.978 . . . . 0.0 110.182 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.09 170.53 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.781 1.232 . . . . 0.0 110.693 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.511 0 C-N-CA 124.07 0.843 . . . . 0.0 114.551 -171.833 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.13 130.37 43.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.435 0.694 . . . . 0.0 109.985 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -143.01 141.23 31.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.346 0.594 . . . . 0.0 112.356 -155.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.8 m -66.26 143.16 57.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.01 0.924 . . . . 0.0 113.193 -175.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.5 t -151.8 161.38 42.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.974 1.31 . . . . 0.0 111.195 -173.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -79.07 140.02 37.98 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 166.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.5 m -143.06 170.39 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.857 2.063 . . . . 0.0 110.21 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.64 140.94 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.404 0.681 . . . . 0.0 112.675 -170.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 98.6 m -115.22 120.45 39.75 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.222 1.409 . . . . 0.0 109.856 171.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.5 t -78.96 124.35 28.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.161 0.984 . . . . 0.0 109.323 166.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -81.63 -18.93 42.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.935 0.894 . . . . 0.0 112.888 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.4 m -79.06 -47.2 16.61 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.741 1.217 . . . . 0.0 111.125 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 65.6 m -94.37 -20.23 19.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.559 1.144 . . . . 0.0 113.427 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 16.1 mttm 78.57 20.21 0.86 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.628 2.371 . . . . 0.0 113.925 166.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -102.94 157.67 16.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.962 1.305 . . . . 0.0 112.442 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.3 m -120.67 132.06 54.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.643 1.577 . . . . 0.0 109.542 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -158.51 -175.89 5.58 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.92 1.688 . . . . 0.0 111.86 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.41 -28.72 64.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.929 1.292 . . . . 0.0 113.359 -175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -157.57 154.48 25.3 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.889 2.076 . . . . 0.0 111.529 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.71 155.15 44.35 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.797 2.332 . . . . 0.0 109.853 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.03 159.19 35.19 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.571 0.7 . . . . 0.0 112.356 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.47 -33.88 74.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.405 -0.809 . . . . 0.0 111.536 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -65.66 -42.27 91.55 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.77 1.228 . . . . 0.0 111.943 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.95 -41.17 95.72 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.264 1.026 . . . . 0.0 111.538 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.58 -45.67 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.802 0.841 . . . . 0.0 111.02 175.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.5 t -70.66 -44.1 67.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.952 0.901 . . . . 0.0 113.191 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -80.41 -5.37 56.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.298 1.039 . . . . 0.0 112.823 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.84 42.27 1.07 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.886 1.674 . . . . 0.0 113.435 166.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -60.92 152.65 26.99 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.553 1.141 . . . . 0.0 110.927 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.45 118.48 24.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.507 0.723 . . . . 0.0 110.024 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.77 151.56 46.55 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.117 0.967 . . . . 0.0 112.535 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -112.89 118.77 35.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.902 1.281 . . . . 0.0 109.804 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -82.92 148.02 27.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.212 1.005 . . . . 0.0 111.257 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -162.77 -176.38 4.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.005 1.722 . . . . 0.0 110.708 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -99.9 148.33 24.58 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.114 0.966 . . . . 0.0 112.567 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.67 -156.77 7.78 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.942 2.211 . . . . 0.0 111.757 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.83 141.61 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.136 1.374 . . . . 0.0 111.509 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -121.01 154.91 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 113.585 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.52 155.42 48.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.092 2.157 . . . . 0.0 110.847 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -117.17 137.8 52.09 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.614 1.566 . . . . 0.0 111.467 -167.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -135.65 150.67 49.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 112.765 -170.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -129.26 145.54 51.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.402 1.881 . . . . 0.0 111.494 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.1 t -97.57 150.79 37.16 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 127.007 2.123 . . . . 0.0 110.967 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.62 -23.33 56.6 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.388 2.725 . . . . 0.0 115.907 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.19 -12.69 60.14 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.14 1.336 . . . . 0.0 114.266 173.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.67 -14.57 35.12 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.751 2.12 . . . . 0.0 114.613 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.52 154.32 21.18 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.878 1.339 . . . . 0.0 112.334 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -129.71 157.61 41.68 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.297 1.439 . . . . 0.0 112.159 -171.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -158.18 174.42 15.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.254 1.422 . . . . 0.0 111.513 170.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.5 mt -137.5 145.13 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 127.122 2.169 . . . . 0.0 107.993 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 16.3 t -142.24 156.77 45.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.086 -1.009 . . . . 0.0 112.069 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.64 -14.06 55.37 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.484 1.114 . . . . 0.0 112.301 166.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -100.91 169.93 8.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.105 1.362 . . . . 0.0 111.469 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -67.12 -5.96 15.58 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -158.85 137.6 7.93 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 126.334 1.853 . . . . 0.0 108.875 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.45 155.27 67.4 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.332 2.688 . . . . 0.0 111.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -17.7 32.64 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 152.33 22.94 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.624 1.57 . . . . 0.0 113.243 -166.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -79.95 164.24 23.66 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.989 0.916 . . . . 0.0 111.617 173.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.25 139.26 58.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.875 1.27 . . . . 0.0 113.263 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 15.8 m -78.97 -16.86 56.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.377 1.071 . . . . 0.0 113.294 174.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.4 m -108.09 -34.98 6.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.73 1.212 . . . . 0.0 112.772 -167.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -128.34 -13.78 4.89 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.04 -5.31 78.71 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 116.477 1.351 . . . . 0.0 116.477 164.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.71 -170.19 2.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.236 1.518 . . . . 0.0 113.082 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -133.04 95.9 3.65 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.366 1.466 . . . . 0.0 110.27 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -140.94 32.17 1.78 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.191 1.796 . . . . 0.0 112.178 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -59.94 140.3 56.8 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.131 0.973 . . . . 0.0 113.209 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -131.1 136.05 48.05 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.747 1.619 . . . . 0.0 109.02 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -73.84 133.2 43.15 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.925 0.49 . . . . 0.0 110.492 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -121.62 176.32 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.478 1.511 . . . . 0.0 111.991 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.756 0 C-N-CA 125.602 1.572 . . . . 0.0 114.147 -178.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 CA-C-O 119.688 -0.507 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.61 159.54 45.74 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.185 3.256 . . . . 0.0 111.927 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -76.47 168.08 20.71 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.387 1.075 . . . . 0.0 113.081 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.04 -144.63 17.33 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.597 1.094 . . . . 0.0 112.481 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 66.2 mtt -69.68 149.29 48.22 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.787 2.435 . . . . 0.0 113.427 3.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -90.54 -18.07 25.9 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.23 1.012 . . . . 0.0 112.722 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 35.5 p -91.74 161.53 14.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.289 1.436 . . . . 0.0 113.144 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.94 146.95 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.923 1.289 . . . . 0.0 109.15 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 -61.73 12.62 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 128.826 2.85 . . . . 0.0 117.867 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -170.63 2.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.688 1.195 . . . . 0.0 111.016 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -158.3 144.02 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.597 1.159 . . . . 0.0 110.91 165.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.9 m -78.28 143.99 36.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 110.921 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.6 t -156.77 157.53 35.22 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.387 1.475 . . . . 0.0 110.428 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -75.72 135.62 40.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.546 0.688 . . . . 0.0 110.03 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.87 173.85 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 128.524 2.73 . . . . 0.0 109.766 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.2 p -149.74 136.27 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.603 0.761 . . . . 0.0 111.629 -169.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 94.4 m -105.32 118.73 37.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.517 1.127 . . . . 0.0 108.889 169.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.64 119.92 16.49 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -78.65 -17.44 55.98 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.112 0.965 . . . . 0.0 112.47 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 31.0 m -84.71 -38.61 19.51 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.881 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 63.7 m -102.96 -16.53 15.81 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 70.93 25.89 3.73 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.282 2.233 . . . . 0.0 114.236 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -102.19 155.7 18.04 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.516 1.126 . . . . 0.0 112.436 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.3 m -116.37 137.9 51.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.282 1.433 . . . . 0.0 109.452 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.87 179.4 9.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.769 1.628 . . . . 0.0 111.513 -176.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.33 -28.42 63.05 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.494 1.118 . . . . 0.0 113.211 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -152.27 160.13 31.79 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.624 1.969 . . . . 0.0 111.02 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.89 147.74 50.37 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.157 1.905 . . . . 0.0 109.249 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.11 156.01 37.25 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.368 1.08 . . . . 0.0 111.886 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.8 -35.34 70.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.36 -0.837 . . . . 0.0 111.823 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -66.63 -41.48 88.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.915 1.286 . . . . 0.0 112.256 171.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.65 -34.64 78.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.038 0.935 . . . . 0.0 112.366 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.5 t -71.76 -42.3 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.642 0.777 . . . . 0.0 111.074 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 75.7 m -72.02 -42.41 66.39 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.263 1.025 . . . . 0.0 113.39 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -78.31 -12.56 60.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.252 1.021 . . . . 0.0 112.289 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.06 45.17 0.72 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.352 1.861 . . . . 0.0 113.287 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -60.4 155.77 17.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.327 1.451 . . . . 0.0 111.319 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -81.75 139.7 34.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.69 -0.631 . . . . 0.0 110.139 171.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.95 148.41 40.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.38 0.672 . . . . 0.0 112.812 175.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -109.56 123.39 49.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.705 1.202 . . . . 0.0 110.247 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -92.16 149.56 21.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.565 1.146 . . . . 0.0 112.582 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -167.29 173.38 8.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.544 1.938 . . . . 0.0 110.63 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -89.01 148.9 23.51 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.729 -1.232 . . . . 0.0 112.237 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.94 -176.87 25.94 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.087 1.803 . . . . 0.0 113.023 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.05 139.14 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.114 1.366 . . . . 0.0 110.004 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -115.3 151.36 34.7 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.929 1.292 . . . . 0.0 114.235 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -122.94 131.13 53.59 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.433 2.293 . . . . 0.0 109.489 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.06 138.14 40.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.696 1.199 . . . . 0.0 112.336 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -133.8 156.41 48.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.185 0.994 . . . . 0.0 113.585 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -138.64 142.68 39.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.147 1.779 . . . . 0.0 111.53 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.5 t -98.57 147.74 33.58 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.462 1.905 . . . . 0.0 110.703 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.76 -21.16 46.63 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 123.732 2.955 . . . . 0.0 116.041 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.0 p -76.92 -12.41 59.95 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 120.357 1.435 . . . . 0.0 113.972 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.87 -9.37 37.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.61 2.052 . . . . 0.0 114.627 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -62.76 152.15 36.61 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.602 1.701 . . . . 0.0 112.035 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -128.53 155.2 45.25 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.814 1.646 . . . . 0.0 112.184 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.6 t -160.0 173.19 16.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.277 1.431 . . . . 0.0 111.436 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 10.5 mt -140.66 144.84 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 127.196 2.199 . . . . 0.0 107.789 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.2 t -140.64 166.16 25.49 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.111 -0.993 . . . . 0.0 111.502 171.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 99.0 mt -88.08 -17.42 31.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.089 0.955 . . . . 0.0 111.944 166.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -92.4 165.63 12.96 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.231 1.412 . . . . 0.0 112.088 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -10.41 20.27 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.887 1.675 . . . . 0.0 115.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -165.03 136.83 3.37 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 126.325 1.85 . . . . 0.0 109.474 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.79 155.3 53.86 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.663 2.242 . . . . 0.0 110.675 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.25 -25.28 22.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -75.0 148.06 40.23 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 112.978 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -72.34 162.86 28.9 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.539 -0.726 . . . . 0.0 111.477 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.0 134.86 54.81 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 112.82 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.6 m -72.4 -16.58 61.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.312 1.045 . . . . 0.0 113.764 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 94.0 m -105.96 -40.23 5.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.877 1.271 . . . . 0.0 112.525 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.7 p -124.18 -12.58 7.38 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.75 -6.09 82.07 Favored Glycine 0 N--CA 1.474 1.219 0 N-CA-C 116.371 1.308 . . . . 0.0 116.371 164.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.29 -172.19 3.53 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.71 1.255 . . . . 0.0 113.045 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -126.38 100.49 6.29 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.353 1.461 . . . . 0.0 110.492 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -145.55 31.26 1.08 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.842 1.657 . . . . 0.0 112.963 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.58 131.31 50.55 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.696 -1.253 . . . . 0.0 112.368 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -116.52 136.73 52.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.582 1.953 . . . . 0.0 109.476 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.92 127.59 33.13 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.787 0.835 . . . . 0.0 110.379 176.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.0 166.72 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 125.725 1.61 . . . . 0.0 111.768 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -86.74 -160.99 35.49 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.784 1.183 . . . . 0.0 115.355 -173.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 16.8 ttt -69.31 150.14 47.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.56 1.544 . . . . 0.0 112.494 -172.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.22 5.13 20.88 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.321 1.448 . . . . 0.0 113.528 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? 69.56 4.91 4.91 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.73 2.412 . . . . 0.0 114.77 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -167.97 144.6 4.08 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.747 2.419 . . . . 0.0 109.846 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -79.15 -31.34 44.0 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 12.6 t -177.75 162.08 1.7 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.228 2.611 . . . . 0.0 110.532 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -92.2 -155.58 31.99 Favored Glycine 0 CA--C 1.544 1.876 0 C-N-CA 126.033 1.778 . . . . 0.0 112.704 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.12 166.16 30.48 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.436 2.757 . . . . 0.0 111.146 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -61.59 131.83 51.35 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.282 0.633 . . . . 0.0 111.943 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 48.7 tp -162.22 149.02 13.52 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.749 1.62 . . . . 0.0 110.842 -170.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 83.52 -168.48 46.05 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.646 1.117 . . . . 0.0 113.675 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 C-N-CA 125.243 1.402 . . . . 0.0 112.885 -178.863 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.384 0 CA-C-O 120.051 -0.305 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.65 -41.61 0.32 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.524 2.816 . . . . 0.0 112.452 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 23.8 ptp 175.18 170.98 0.29 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 128.772 2.829 . . . . 0.0 109.964 -173.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -65.52 149.9 51.68 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 121.573 -0.704 . . . . 0.0 111.953 173.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -7.06 59.08 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.203 2.601 . . . . 0.0 115.459 3.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -70.66 -42.16 71.15 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.964 0.802 . . . . 0.0 111.895 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 66.6 m -77.51 134.02 38.41 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.465 -0.772 . . . . 0.0 111.405 167.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 33.7 mm -109.87 155.9 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.491 1.516 . . . . 0.0 109.385 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -26.57 54.3 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.35 161.15 28.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 113.197 -173.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.37 141.11 20.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.662 0.744 . . . . 0.0 112.196 -171.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 23.6 p -76.77 143.91 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.933 1.293 . . . . 0.0 113.814 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 4.3 m -152.51 164.76 36.95 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.492 1.917 . . . . 0.0 111.176 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -76.63 142.07 40.8 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.768 -0.582 . . . . 0.0 109.836 166.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.57 158.23 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.729 2.011 . . . . 0.0 110.873 -174.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 146.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.259 1.423 . . . . 0.0 110.908 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 60.8 m -118.05 117.72 29.98 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.777 1.231 . . . . 0.0 108.847 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.7 t -74.08 118.11 16.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 167.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -77.48 -23.3 50.39 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.433 1.093 . . . . 0.0 111.762 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 33.2 m -75.84 -47.72 24.45 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.992 1.317 . . . . 0.0 110.893 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 83.9 m -93.72 -17.54 23.08 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.8 23.44 3.63 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.389 2.276 . . . . 0.0 114.713 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -97.87 157.3 16.16 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.167 -0.958 . . . . 0.0 113.151 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 23.5 m -115.86 139.01 50.62 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.208 1.803 . . . . 0.0 109.068 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.08 173.43 16.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.547 1.139 . . . . 0.0 112.625 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -67.71 -28.91 68.07 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.156 0.982 . . . . 0.0 112.969 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -164.99 154.52 11.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.656 1.982 . . . . 0.0 112.07 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.16 154.23 25.12 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.11 2.54 . . . . 0.0 111.037 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -72.89 154.7 40.47 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.129 0.966 . . . . 0.0 112.923 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -59.57 -36.41 76.16 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.142 0.977 . . . . 0.0 111.189 171.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.8 p -68.68 -37.69 79.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.519 1.128 . . . . 0.0 112.679 173.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 63.1 m -66.52 -41.94 88.05 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.919 0.781 . . . . 0.0 111.559 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.66 -43.94 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.056 0.943 . . . . 0.0 111.473 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 21.9 t -70.7 -37.77 73.62 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.28 -1.71 46.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.576 1.15 . . . . 0.0 113.175 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 66.05 37.64 5.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.416 1.886 . . . . 0.0 113.129 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.07 150.62 33.28 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.409 1.084 . . . . 0.0 110.721 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -85.27 137.3 33.07 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.507 0.723 . . . . 0.0 110.424 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 159.91 42.54 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.119 0.962 . . . . 0.0 113.207 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -131.02 133.63 45.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.472 1.109 . . . . 0.0 111.05 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -93.61 154.35 17.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.415 1.086 . . . . 0.0 112.057 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -164.15 178.96 7.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.937 2.095 . . . . 0.0 110.353 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -92.9 146.35 23.7 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.058 -1.026 . . . . 0.0 111.88 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -150.59 -159.91 9.05 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.705 2.098 . . . . 0.0 112.168 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -151.46 133.27 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.634 1.173 . . . . 0.0 111.056 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -108.18 148.51 29.81 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.822 1.249 . . . . 0.0 113.498 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -138.89 140.51 38.42 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.379 1.871 . . . . 0.0 108.904 -167.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -104.98 136.83 43.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 111.999 -167.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -134.58 155.04 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.888 0.875 . . . . 0.0 113.268 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -136.2 142.86 44.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.94 1.696 . . . . 0.0 111.592 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 39.0 t -101.08 146.66 32.54 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 126.521 1.929 . . . . 0.0 110.199 172.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.49 -17.28 52.91 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.702 2.934 . . . . 0.0 115.867 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.7 p -75.48 -13.23 60.36 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 120.086 1.312 . . . . 0.0 113.976 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.61 36.91 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 126.676 2.084 . . . . 0.0 114.574 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -65.36 151.13 47.02 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.804 1.302 . . . . 0.0 111.887 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -128.35 156.16 43.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.991 1.716 . . . . 0.0 111.551 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 t -160.03 171.62 19.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.056 1.342 . . . . 0.0 111.34 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -139.79 141.52 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.895 2.078 . . . . 0.0 107.872 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 13.5 t -152.2 165.65 34.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.908 0.861 . . . . 0.0 112.43 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.76 -25.02 21.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.58 1.952 . . . . 0.0 111.585 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.49 160.57 23.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.195 1.398 . . . . 0.0 111.923 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -60.09 -18.75 49.27 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.104 1.362 . . . . 0.0 114.196 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 18.4 tp -154.85 137.52 10.18 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 127.853 2.461 . . . . 0.0 108.106 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.13 151.86 61.63 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.555 2.17 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.64 -25.88 24.65 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.89 152.54 24.48 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 113.779 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -78.99 163.52 25.14 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.647 0.779 . . . . 0.0 111.238 170.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.23 143.24 57.97 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.712 1.205 . . . . 0.0 113.048 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.8 m -87.07 -13.66 43.65 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.046 0.939 . . . . 0.0 113.051 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.1 m -100.48 -39.45 7.94 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.936 1.294 . . . . 0.0 111.956 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.2 p -125.83 -15.28 5.98 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.6 -7.17 74.58 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 125.134 1.349 . . . . 0.0 116.092 166.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.53 -170.8 2.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.11 1.455 . . . . 0.0 113.336 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -132.48 91.58 2.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.608 1.563 . . . . 0.0 110.642 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.33 30.18 1.97 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.134 1.374 . . . . 0.0 112.734 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -56.56 135.82 54.56 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.498 1.119 . . . . 0.0 112.062 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.04 132.54 54.16 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.506 1.922 . . . . 0.0 108.96 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.63 125.9 29.67 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 22.2 m -116.4 168.98 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.245 1.418 . . . . 0.0 111.72 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -71.09 171.0 46.52 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.37 0.986 . . . . 0.0 113.188 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 48.1 ttp -67.12 147.76 52.72 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.24 1.016 . . . . 0.0 111.426 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.33 138.29 58.35 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.112 0.965 . . . . 0.0 111.361 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -111.66 5.99 19.63 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.116 1.366 . . . . 0.0 114.448 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -147.64 151.8 36.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.191 2.196 . . . . 0.0 109.727 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -58.23 140.83 52.38 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 40.9 p -102.01 164.36 11.75 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.095 1.758 . . . . 0.0 112.174 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 158.08 164.1 13.6 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.535 1.54 . . . . 0.0 113.743 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.76 142.19 25.35 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.882 3.054 . . . . 0.0 111.223 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -70.55 -19.14 62.91 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.665 0.786 . . . . 0.0 113.006 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 49.8 tp -74.53 -26.25 59.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.034 1.734 . . . . 0.0 112.137 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 77.03 -149.52 36.15 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.649 1.119 . . . . 0.0 112.248 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.441 0 CA-C-O 118.123 -1.376 . . . . 0.0 113.131 178.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -55.27 146.09 62.84 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 124.268 3.312 . . . . 0.0 113.313 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 48.7 mtt 71.12 3.71 4.77 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 126.539 1.935 . . . . 0.0 114.093 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 65.9 -119.36 13.31 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.417 1.008 . . . . 0.0 111.736 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 97.0 mmm -69.81 -21.26 63.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.997 0.919 . . . . 0.0 113.213 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 73.04 -37.56 0.39 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 128.845 2.858 . . . . 0.0 113.413 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 68.2 p -151.66 148.47 27.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.975 1.31 . . . . 0.0 112.746 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 11.4 mm -124.53 166.6 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 126.464 1.906 . . . . 0.0 109.378 -173.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -72.1 38.92 0.07 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.298 1.439 . . . . 0.0 114.761 171.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -175.28 154.5 1.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 130.432 3.493 . . . . 0.0 109.676 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.66 139.44 22.87 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.447 0.699 . . . . 0.0 112.5 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.5 m -72.76 141.33 48.11 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.844 0.858 . . . . 0.0 112.383 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.1 m -145.17 170.57 15.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.205 1.802 . . . . 0.0 111.218 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -88.24 142.78 27.48 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 160.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.1 m -139.87 167.56 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 127.007 2.123 . . . . 0.0 110.96 -170.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 11.6 p -137.0 141.88 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.904 1.281 . . . . 0.0 111.134 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -110.64 117.17 32.77 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.996 1.318 . . . . 0.0 108.47 167.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.1 t -71.89 120.8 18.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 166.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -79.99 -20.63 45.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.895 0.878 . . . . 0.0 112.522 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 30.4 m -76.55 -43.56 38.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.181 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -100.91 -17.48 16.8 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 74.69 18.87 2.67 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.046 2.538 . . . . 0.0 113.979 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -95.33 157.58 15.83 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.791 -1.193 . . . . 0.0 113.188 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 18.8 m -117.38 134.53 54.72 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.78 1.632 . . . . 0.0 109.929 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -157.57 175.23 14.21 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.643 1.577 . . . . 0.0 111.506 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -38.57 71.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.062 -1.024 . . . . 0.0 112.049 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.4 151.35 78.62 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 126.315 1.846 . . . . 0.0 111.49 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.61 149.46 26.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.126 2.55 . . . . 0.0 109.872 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -67.71 158.95 31.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 122.432 1.11 . . . . 0.0 113.327 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -36.51 78.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.54 1.136 . . . . 0.0 111.913 175.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 20.1 p -65.3 -43.04 92.34 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.957 1.303 . . . . 0.0 111.483 172.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -67.96 -40.21 83.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.343 1.057 . . . . 0.0 112.076 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.19 -41.05 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 111.221 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.8 t -70.95 -43.23 68.57 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -78.02 -7.83 57.39 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.628 1.171 . . . . 0.0 112.771 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 58.5 51.99 7.5 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.036 1.734 . . . . 0.0 112.573 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -60.41 155.5 18.01 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.299 1.04 . . . . 0.0 111.068 168.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -83.36 133.93 34.92 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.222 0.609 . . . . 0.0 110.004 172.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.61 44.67 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.799 0.84 . . . . 0.0 112.042 176.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -110.66 129.03 55.92 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.611 1.164 . . . . 0.0 110.216 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -95.11 151.86 18.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.597 1.159 . . . . 0.0 112.211 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -166.52 179.97 5.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.453 1.901 . . . . 0.0 110.948 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -95.99 155.77 16.61 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.989 -1.069 . . . . 0.0 113.05 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.98 -165.36 17.59 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.991 1.758 . . . . 0.0 112.895 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -150.17 133.74 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.323 1.449 . . . . 0.0 111.017 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -100.01 140.99 33.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.235 . . . . 0.0 113.739 -170.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -114.71 146.26 41.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 128.757 2.823 . . . . 0.0 109.486 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -111.21 130.66 55.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 112.271 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -129.88 149.13 51.75 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.551 1.141 . . . . 0.0 113.795 -174.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -131.6 146.2 52.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.529 1.532 . . . . 0.0 112.024 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 45.2 t -98.28 149.9 36.19 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 127.365 2.266 . . . . 0.0 110.667 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.83 -23.44 50.59 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.181 2.587 . . . . 0.0 115.811 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.6 p -76.53 -13.96 60.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.99 -10.94 31.92 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.895 1.712 . . . . 0.0 114.712 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -68.94 148.25 50.45 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.689 1.245 . . . . 0.0 111.651 174.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -135.58 157.04 47.86 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.981 1.312 . . . . 0.0 112.584 -172.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -155.11 170.65 21.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.014 1.325 . . . . 0.0 111.992 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.9 mt -139.72 140.27 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.294 1.838 . . . . 0.0 108.351 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.0 t -156.82 176.78 12.29 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.263 1.425 . . . . 0.0 110.592 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.23 -25.1 14.99 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.611 1.165 . . . . 0.0 111.988 -172.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.41 166.58 12.8 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.07 1.0 3.89 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -178.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 13.2 tp -158.39 137.82 8.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.179 1.791 . . . . 0.0 109.137 166.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -71.47 162.11 43.35 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.383 2.722 . . . . 0.0 111.505 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -12.14 35.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -173.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.38 152.28 25.54 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.389 1.476 . . . . 0.0 113.864 -169.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.03 163.56 26.56 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 111.965 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 45.5 t -60.87 135.96 57.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.919 1.287 . . . . 0.0 112.88 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.9 m -77.09 -17.4 58.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.322 1.049 . . . . 0.0 113.166 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 90.3 m -103.6 -33.63 8.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.536 1.134 . . . . 0.0 112.449 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.81 -13.13 3.29 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.78 -7.62 73.91 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 116.485 1.354 . . . . 0.0 116.485 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -173.36 4.1 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.004 1.402 . . . . 0.0 113.241 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.78 85.34 2.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.833 1.653 . . . . 0.0 110.241 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.89 33.77 3.16 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.557 1.543 . . . . 0.0 112.512 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -59.12 138.71 57.45 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.965 1.306 . . . . 0.0 113.101 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -127.82 136.94 52.13 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.98 1.712 . . . . 0.0 110.32 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -65.49 121.85 15.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.984 0.913 . . . . 0.0 110.318 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.9 171.41 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.868 1.667 . . . . 0.0 111.104 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -77.2 -174.99 41.79 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 123.558 0.599 . . . . 0.0 113.929 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 28.0 ttt -57.6 142.13 45.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.386 1.074 . . . . 0.0 111.759 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.0 120.46 17.63 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.997 0.919 . . . . 0.0 110.111 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 6.38 48.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.308 1.443 . . . . 0.0 114.337 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -67.05 139.81 57.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.206 1.402 . . . . 0.0 111.811 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.23 165.93 24.32 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.187 1.395 . . . . 0.0 113.95 -175.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 28.5 m 89.39 137.56 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 129.578 3.151 . . . . 0.0 110.774 171.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -175.89 175.8 47.42 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.248 1.404 . . . . 0.0 113.331 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.46 140.69 37.01 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 123.796 2.998 . . . . 0.0 111.485 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -88.17 -10.89 48.47 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 96.3 mt -126.58 165.44 19.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.769 2.028 . . . . 0.0 111.672 -175.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -85.34 -154.78 23.39 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.155 1.36 . . . . 0.0 113.175 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.26 0 CA-C-O 117.636 -1.647 . . . . 0.0 113.847 -179.012 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 CA-C-O 119.447 -0.64 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.31 -17.15 21.69 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.943 3.095 . . . . 0.0 113.862 -175.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 26.1 mmt -81.03 -0.73 40.99 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.75 161.07 54.3 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.709 1.147 . . . . 0.0 113.671 178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.41 139.23 57.98 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.566 0.746 . . . . 0.0 111.876 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -116.22 13.79 15.74 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.538 1.535 . . . . 0.0 112.03 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 8.5 t -158.06 179.02 9.57 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.487 1.515 . . . . 0.0 111.482 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.494 HD12 ' H ' ' A' ' 758' ' ' ILE . 3.1 mp -79.03 143.88 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.318 1.447 . . . . 0.0 110.457 -176.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -76.56 46.91 0.46 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 126.396 1.878 . . . . 0.0 115.217 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.39 157.83 28.49 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.848 2.459 . . . . 0.0 111.048 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.73 140.1 23.33 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.533 0.733 . . . . 0.0 112.631 -168.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 20.9 m -74.29 149.69 40.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.124 0.97 . . . . 0.0 113.132 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.4 t -159.58 165.47 32.77 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.194 1.398 . . . . 0.0 111.512 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -77.01 141.91 40.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.501 -0.749 . . . . 0.0 110.362 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.98 162.69 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.446 1.898 . . . . 0.0 110.582 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.0 p -125.37 139.38 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 125.534 1.534 . . . . 0.0 110.187 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.9 m -107.17 115.43 30.17 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.118 0.967 . . . . 0.0 108.729 163.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.46 118.31 17.27 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -79.31 -23.14 43.72 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 112.171 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.6 m -75.18 -42.14 56.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.767 1.227 . . . . 0.0 111.579 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.22 -16.88 19.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.917 1.287 . . . . 0.0 113.971 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.9 mptt 67.06 57.53 0.61 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.248 2.219 . . . . 0.0 112.966 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.34 158.38 43.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.549 1.139 . . . . 0.0 112.84 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.0 m -113.5 131.81 55.92 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.81 1.644 . . . . 0.0 110.303 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -154.91 177.56 11.16 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.908 1.683 . . . . 0.0 112.246 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.98 -34.53 77.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.84 1.256 . . . . 0.0 113.255 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -159.69 155.54 22.98 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.137 1.775 . . . . 0.0 112.399 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.49 157.34 32.59 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.591 2.194 . . . . 0.0 110.657 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -73.28 158.94 34.18 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.819 0.819 . . . . 0.0 112.074 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.87 -35.55 76.88 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.677 -0.639 . . . . 0.0 111.62 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 16.7 p -65.43 -41.89 93.05 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.684 1.193 . . . . 0.0 112.122 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.6 -41.53 96.16 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 112.128 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.02 -42.3 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.325 0.65 . . . . 0.0 111.601 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 26.0 t -71.01 -43.79 67.21 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -77.97 -9.9 59.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.21 1.004 . . . . 0.0 112.818 172.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 69.19 48.5 0.66 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.37 1.868 . . . . 0.0 112.689 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.25 155.48 11.43 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.051 1.34 . . . . 0.0 110.966 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.21 137.85 33.28 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.684 0.794 . . . . 0.0 110.072 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.86 152.64 40.59 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -113.08 126.05 55.04 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 109.287 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -91.46 145.96 24.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.328 1.051 . . . . 0.0 111.414 171.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -165.15 -179.73 5.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 111.47 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -96.04 151.59 19.31 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.16 -0.962 . . . . 0.0 111.863 173.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.58 -163.45 11.82 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 126.612 2.053 . . . . 0.0 112.051 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.78 131.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.235 1.414 . . . . 0.0 110.59 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -100.75 146.72 26.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 42.1 mtt85 -138.45 136.56 36.33 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 127.397 2.279 . . . . 0.0 109.282 -163.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.04 131.55 53.96 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.162 0.985 . . . . 0.0 111.564 -164.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -128.9 155.45 45.26 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 113.08 -174.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -134.98 142.25 46.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.81 2.044 . . . . 0.0 111.602 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.45 148.19 34.22 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.402 1.881 . . . . 0.0 110.362 171.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -58.2 -18.42 37.04 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.308 2.672 . . . . 0.0 116.237 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.3 p -77.67 -10.63 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 120.193 1.36 . . . . 0.0 114.261 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.09 -4.57 45.19 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 126.722 2.106 . . . . 0.0 114.79 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -68.61 155.64 39.63 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.797 1.299 . . . . 0.0 111.853 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -128.81 155.68 44.79 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.855 1.662 . . . . 0.0 112.465 -171.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.8 t -158.96 172.23 18.59 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.834 1.653 . . . . 0.0 111.416 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.2 mt -138.21 141.28 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.046 1.738 . . . . 0.0 108.447 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 33.3 t -145.62 164.66 31.02 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.161 0.984 . . . . 0.0 111.559 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.72 -10.06 32.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.182 1.793 . . . . 0.0 111.498 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -109.1 174.15 6.0 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.816 2.046 . . . . 0.0 111.271 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -62.71 -10.95 14.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.664 1.586 . . . . 0.0 114.972 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.2 tp -158.29 142.5 11.47 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.242 1.817 . . . . 0.0 109.708 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.6 156.75 57.26 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.428 2.752 . . . . 0.0 111.256 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -16.14 30.44 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -174.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 151.53 22.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 113.892 -162.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -76.99 155.14 32.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.855 0.862 . . . . 0.0 111.27 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.22 141.37 58.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.863 1.265 . . . . 0.0 112.809 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 7.9 t -82.77 -20.42 35.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.229 1.012 . . . . 0.0 112.895 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -97.21 -37.77 9.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.061 1.344 . . . . 0.0 112.428 -171.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.1 p -129.83 -13.0 4.21 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.851 1.796 . . . . 0.0 115.851 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.12 -11.55 69.18 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.759 1.171 . . . . 0.0 116.007 164.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.35 -168.2 2.13 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.083 1.441 . . . . 0.0 113.622 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -136.8 95.2 3.09 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.94 1.696 . . . . 0.0 110.49 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -143.13 31.57 1.38 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.641 1.576 . . . . 0.0 112.367 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -60.14 142.72 53.83 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.419 1.088 . . . . 0.0 113.325 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -130.15 135.93 48.72 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 126.759 2.024 . . . . 0.0 110.077 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.07 130.35 43.05 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.568 0.747 . . . . 0.0 110.366 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.77 175.05 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.442 1.497 . . . . 0.0 110.459 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -81.69 178.24 53.78 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-O 122.603 1.113 . . . . 0.0 114.839 -173.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -76.87 147.63 36.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.415 1.486 . . . . 0.0 110.704 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.86 104.54 4.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.65 1.18 . . . . 0.0 111.236 -168.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -82.76 -1.94 52.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.931 1.293 . . . . 0.0 114.294 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -148.31 73.16 1.23 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.047 2.139 . . . . 0.0 109.169 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -70.63 146.02 50.29 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.521 1.128 . . . . 0.0 113.26 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 36.1 p -83.33 157.05 22.72 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.633 1.573 . . . . 0.0 111.492 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -110.34 159.41 13.9 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.009 1.29 . . . . 0.0 113.146 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.53 159.4 42.94 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.901 3.068 . . . . 0.0 111.204 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -80.29 -12.37 59.62 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 48.1 tp -158.17 149.15 20.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.322 1.849 . . . . 0.0 110.273 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -82.85 -167.74 41.54 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.208 1.385 . . . . 0.0 113.816 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.2 0 C-N-CA 125.425 1.488 . . . . 0.0 113.036 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 CA-C-O 119.055 -0.858 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.9 148.83 46.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.834 3.023 . . . . 0.0 111.919 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.33 -11.99 16.85 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.763 1.225 . . . . 0.0 113.382 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -66.69 -16.02 65.12 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.682 1.134 . . . . 0.0 114.853 -172.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -72.11 -10.49 59.86 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.707 1.603 . . . . 0.0 113.526 171.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 84.89 -25.42 0.12 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 129.946 3.299 . . . . 0.0 113.073 173.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 38.3 m -73.32 145.37 46.06 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.467 1.107 . . . . 0.0 112.691 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.43 142.99 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.589 1.556 . . . . 0.0 108.807 174.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -77.27 29.21 0.14 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -158.96 153.5 24.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.058 2.543 . . . . 0.0 110.29 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.51 146.89 31.62 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.523 0.729 . . . . 0.0 111.748 -164.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.2 m -74.39 149.83 40.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.069 0.947 . . . . 0.0 113.095 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.05 170.91 21.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.849 1.26 . . . . 0.0 112.481 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -84.78 141.32 30.59 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 0.0 109.387 164.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.58 167.8 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.39 1.876 . . . . 0.0 110.984 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.8 p -144.52 129.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.609 1.164 . . . . 0.0 111.542 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 55.1 m -96.98 116.23 28.82 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.649 1.179 . . . . 0.0 108.748 168.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.7 117.04 16.09 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.17 -23.6 60.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.923 1.289 . . . . 0.0 111.932 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.8 m -79.05 -42.12 27.18 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.053 1.341 . . . . 0.0 111.781 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.5 -16.67 16.73 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.703 1.201 . . . . 0.0 113.833 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 68.6 49.38 0.74 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.856 2.062 . . . . 0.0 113.033 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -135.32 162.23 33.18 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.459 1.503 . . . . 0.0 112.302 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.4 m -116.41 124.43 50.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.642 1.177 . . . . 0.0 110.727 173.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -126.68 177.52 6.49 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.766 2.027 . . . . 0.0 110.602 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.23 -37.6 72.01 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.396 1.078 . . . . 0.0 111.53 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -142.73 154.11 62.25 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.008 2.123 . . . . 0.0 111.215 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.24 152.38 35.06 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.679 2.252 . . . . 0.0 109.779 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -76.93 159.99 29.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.482 1.134 . . . . 0.0 111.968 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.45 -37.95 79.47 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.813 0.845 . . . . 0.0 111.563 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.5 p -67.4 -40.94 85.63 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.855 1.262 . . . . 0.0 111.63 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.44 -42.69 95.84 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.233 0.924 . . . . 0.0 111.581 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.11 -43.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.77 0.828 . . . . 0.0 111.113 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.3 t -67.67 -39.54 84.48 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -80.42 -5.75 56.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.062 1.345 . . . . 0.0 112.961 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 65.31 42.41 3.93 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.244 1.818 . . . . 0.0 112.648 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -60.13 150.65 29.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.218 1.007 . . . . 0.0 110.381 171.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -87.05 142.31 28.02 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 110.74 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.46 152.78 44.53 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.309 0.644 . . . . 0.0 112.596 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -110.77 124.82 52.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 109.202 166.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -90.67 148.25 22.74 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.207 1.003 . . . . 0.0 111.873 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -166.46 -170.97 1.78 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.973 2.109 . . . . 0.0 110.622 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -109.72 154.04 23.46 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.696 -1.253 . . . . 0.0 112.887 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.05 -169.51 21.73 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.957 1.741 . . . . 0.0 113.294 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 68.8 t -132.62 132.01 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.219 1.408 . . . . 0.0 110.134 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -102.48 150.69 23.13 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.746 1.218 . . . . 0.0 113.903 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -142.59 139.26 31.27 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.865 2.066 . . . . 0.0 110.382 -160.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -112.32 132.32 55.04 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.329 1.052 . . . . 0.0 112.102 -162.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -132.0 152.96 50.83 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.139 0.975 . . . . 0.0 113.489 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -136.59 145.46 44.95 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.085 1.754 . . . . 0.0 112.233 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 47.3 t -104.58 148.92 36.82 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 127.299 2.24 . . . . 0.0 110.192 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.11 -19.58 49.83 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.671 2.914 . . . . 0.0 116.115 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.02 -12.44 60.33 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 120.178 1.354 . . . . 0.0 113.95 172.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.24 -7.38 47.5 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.471 1.986 . . . . 0.0 114.602 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -70.77 149.89 46.42 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.184 1.492 . . . . 0.0 112.186 174.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -134.44 160.94 36.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.919 1.287 . . . . 0.0 112.648 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -155.97 174.31 15.52 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.532 1.533 . . . . 0.0 111.597 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.1 mt -134.36 142.54 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.398 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.4 t -140.14 166.88 23.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.629 1.172 . . . . 0.0 111.387 173.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.5 mt -88.07 -18.3 29.22 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.186 0.994 . . . . 0.0 111.865 167.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.05 166.13 14.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.227 1.411 . . . . 0.0 112.455 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -65.52 -10.69 36.94 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.6 tp -164.73 137.94 3.88 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 127.694 2.398 . . . . 0.0 108.824 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.22 156.44 51.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 123.063 2.509 . . . . 0.0 110.547 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -87.68 -27.0 22.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -80.72 153.15 28.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.822 1.249 . . . . 0.0 113.057 -165.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -74.94 162.38 28.66 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.482 -0.761 . . . . 0.0 111.929 167.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.97 135.49 55.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.019 1.328 . . . . 0.0 112.727 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 29.3 m -74.89 -13.83 60.59 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.338 1.055 . . . . 0.0 113.378 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 86.2 m -103.49 -42.2 5.76 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.381 1.072 . . . . 0.0 112.251 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 20.8 p -123.29 -14.39 7.46 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.78 -5.62 79.56 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.439 1.335 . . . . 0.0 116.439 166.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -173.33 3.75 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.28 1.54 . . . . 0.0 112.653 176.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -125.42 103.03 7.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.962 1.305 . . . . 0.0 110.137 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -146.46 31.22 0.99 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.147 1.779 . . . . 0.0 112.603 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -60.51 139.46 57.74 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.314 -0.866 . . . . 0.0 112.661 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -130.53 135.86 48.35 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.25 1.82 . . . . 0.0 109.922 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.03 128.36 35.43 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.033 0.533 . . . . 0.0 110.409 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -122.04 172.09 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.306 1.442 . . . . 0.0 110.837 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -80.76 -177.82 51.74 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.686 1.136 . . . . 0.0 114.156 -176.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.51 144.36 54.64 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.847 1.259 . . . . 0.0 112.333 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.29 150.89 24.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.516 1.126 . . . . 0.0 111.666 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -115.83 145.34 42.93 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.945 1.298 . . . . 0.0 110.473 167.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -158.1 157.77 33.44 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.6 1.56 . . . . 0.0 111.435 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.34 167.23 22.05 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.243 1.817 . . . . 0.0 112.472 -176.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 24.8 p -126.74 151.11 48.63 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.087 1.755 . . . . 0.0 111.312 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -94.29 -115.11 2.63 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.625 1.584 . . . . 0.0 111.608 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.21 149.03 69.9 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.284 2.656 . . . . 0.0 111.334 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -65.15 -24.61 67.45 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 33.7 tp -97.46 -19.04 18.68 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.995 1.718 . . . . 0.0 112.887 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 80.23 -141.09 22.8 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.173 0.892 . . . . 0.0 111.584 -169.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.425 0 CA-C-O 118.387 -1.229 . . . . 0.0 113.476 177.308 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 CA-C-O 119.262 -0.743 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.87 158.17 21.73 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.834 3.689 . . . . 0.0 113.938 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -65.06 -19.37 65.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.697 1.199 . . . . 0.0 113.372 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.97 -11.31 69.76 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.839 1.209 . . . . 0.0 114.572 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -81.14 -3.75 53.11 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.189 1.395 . . . . 0.0 113.32 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -133.48 175.68 9.2 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.524 1.53 . . . . 0.0 110.982 175.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 9.6 t -154.58 156.24 36.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.535 1.134 . . . . 0.0 111.957 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -143.51 147.64 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 126.567 1.947 . . . . 0.0 108.818 -176.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . 0.528 ' H ' ' HD3' ' A' ' 759' ' ' ARG . 0.0 OUTLIER -56.03 -44.57 78.86 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.486 0.714 . . . . 0.0 112.525 173.629 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -74.55 140.33 44.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.103 1.361 . . . . 0.0 110.84 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.77 131.32 8.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.76 0.824 . . . . 0.0 109.634 -162.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.7 p -78.2 142.53 37.87 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.834 0.826 . . . . 0.0 112.283 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.8 t -158.5 157.17 31.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.004 1.322 . . . . 0.0 110.438 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -72.96 130.09 39.58 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.902 -0.499 . . . . 0.0 110.093 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.87 158.79 19.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 127.722 2.409 . . . . 0.0 110.296 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.1 p -119.94 150.17 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.785 1.634 . . . . 0.0 110.845 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 91.4 m -126.46 111.46 14.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 109.36 168.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 30.2 t -75.29 118.06 17.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.762 0.825 . . . . 0.0 109.855 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -83.8 -14.97 50.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.358 1.463 . . . . 0.0 112.501 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 39.3 m -81.42 -43.45 18.91 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.818 1.247 . . . . 0.0 111.242 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 71.2 m -97.55 -24.17 15.68 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 72.07 65.79 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.456 2.302 . . . . 0.0 112.317 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -146.72 157.05 43.6 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.243 1.017 . . . . 0.0 113.277 170.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.7 m -113.17 137.47 51.41 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.093 1.757 . . . . 0.0 109.044 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.71 172.16 19.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.383 1.073 . . . . 0.0 111.239 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.96 89.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.746 0.818 . . . . 0.0 111.542 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -150.63 151.49 30.69 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.913 2.085 . . . . 0.0 110.103 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -76.67 161.41 33.86 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.423 2.749 . . . . 0.0 110.97 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -69.64 156.48 38.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.775 0.798 . . . . 0.0 112.076 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.57 -37.08 82.56 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.462 -0.774 . . . . 0.0 111.614 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 15.3 p -61.9 -43.43 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.582 1.153 . . . . 0.0 112.195 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 60.8 m -62.8 -39.68 95.01 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.74 0.816 . . . . 0.0 112.224 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 92.3 t -69.66 -45.73 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.827 0.851 . . . . 0.0 111.11 176.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -36.38 75.52 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.43 1.014 . . . . 0.0 113.244 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -79.66 -7.27 58.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.815 0.846 . . . . 0.0 112.611 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 55.99 52.94 9.79 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.174 1.79 . . . . 0.0 112.174 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -60.77 157.3 15.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.237 1.015 . . . . 0.0 111.329 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -81.34 130.91 35.23 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.263 0.625 . . . . 0.0 110.122 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.65 151.02 35.47 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -108.93 142.66 39.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.61 1.164 . . . . 0.0 110.09 168.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -115.63 146.4 41.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.021 1.328 . . . . 0.0 111.66 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -164.07 171.28 15.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.349 1.459 . . . . 0.0 111.232 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -81.52 141.12 34.1 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.217 -0.927 . . . . 0.0 111.616 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -142.21 -169.28 12.07 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 127.005 2.241 . . . . 0.0 111.757 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 4.3 p -148.33 138.91 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.513 1.525 . . . . 0.0 110.5 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -107.14 150.53 26.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.074 1.35 . . . . 0.0 114.568 -166.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -120.22 145.93 46.53 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.213 2.605 . . . . 0.0 110.168 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -119.84 136.39 54.5 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.474 1.109 . . . . 0.0 112.298 -168.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -136.89 157.95 45.58 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.235 1.014 . . . . 0.0 113.213 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -138.89 146.24 40.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.538 . . . . 0.0 111.744 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.37 148.82 35.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.855 2.062 . . . . 0.0 110.697 175.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.12 -21.18 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 124.052 3.168 . . . . 0.0 116.113 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.98 -11.34 59.94 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 120.442 1.474 . . . . 0.0 114.093 172.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.7 -9.43 40.8 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.449 1.975 . . . . 0.0 114.481 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.47 157.05 30.55 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 1.399 . . . . 0.0 112.271 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -125.69 158.66 34.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.892 1.677 . . . . 0.0 112.03 -174.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.2 t -156.61 169.75 23.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.376 1.47 . . . . 0.0 111.136 170.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.2 mt -143.98 143.14 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 126.529 1.931 . . . . 0.0 108.288 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -154.97 169.42 24.11 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.884 0.849 . . . . 0.0 112.523 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -97.69 -10.21 25.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.87 1.668 . . . . 0.0 111.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -97.42 169.66 9.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.019 1.728 . . . . 0.0 111.405 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -12.22 58.01 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 17.3 tp -155.85 138.62 10.53 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 126.895 2.078 . . . . 0.0 108.622 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.66 152.22 64.49 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.097 2.531 . . . . 0.0 111.66 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -22.36 28.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -171.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.24 160.51 17.56 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.84 163.5 26.71 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.693 1.197 . . . . 0.0 112.429 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.63 133.89 56.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.383 1.073 . . . . 0.0 112.135 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.7 p -81.31 -8.84 59.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.92 1.288 . . . . 0.0 113.595 175.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.4 m -105.43 -41.39 5.52 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.935 1.294 . . . . 0.0 112.149 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -126.5 -12.95 6.09 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.66 -8.68 74.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.014 1.292 . . . . 0.0 116.131 164.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.41 -170.23 2.94 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.071 1.436 . . . . 0.0 113.259 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -132.81 101.56 5.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.525 1.53 . . . . 0.0 109.995 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -145.49 30.93 1.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.979 1.711 . . . . 0.0 112.13 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -62.71 137.99 58.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.27 1.028 . . . . 0.0 113.27 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -124.64 139.79 53.54 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.107 1.763 . . . . 0.0 109.312 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -65.32 130.87 44.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.428 1.091 . . . . 0.0 110.31 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 25.9 m -141.98 -173.17 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.147 1.379 . . . . 0.0 111.002 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -77.64 -164.56 23.17 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.567 1.08 . . . . 0.0 114.321 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 5.0 ttp -70.75 -170.34 0.41 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.565 1.146 . . . . 0.0 112.957 -173.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -83.11 140.24 32.75 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.833 -1.167 . . . . 0.0 110.399 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -103.03 124.04 47.77 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.74 1.216 . . . . 0.0 111.153 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -145.15 146.48 31.79 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.612 1.965 . . . . 0.0 110.196 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -67.9 140.86 56.51 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.918 0.887 . . . . 0.0 112.404 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 6.8 t -170.32 175.01 5.02 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.361 2.265 . . . . 0.0 110.417 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -81.49 -167.04 37.88 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.311 1.434 . . . . 0.0 114.098 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.18 -5.12 16.5 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 124.042 3.161 . . . . 0.0 113.96 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 154.16 39.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.239 1.416 . . . . 0.0 112.354 175.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.14 163.82 26.71 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.571 1.149 . . . . 0.0 112.75 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 78.56 -165.18 51.29 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.454 1.026 . . . . 0.0 113.751 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 CA-C-O 118.173 -1.348 . . . . 0.0 112.811 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 CA-C-O 119.204 -0.775 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -74.73 172.77 15.6 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 124.031 3.154 . . . . 0.0 112.105 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.95 -9.1 57.27 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.692 1.197 . . . . 0.0 113.773 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 76.27 -156.01 46.42 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.496 1.522 . . . . 0.0 113.245 173.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 77.0 mtm -87.65 -12.55 45.15 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.077 0.951 . . . . 0.0 113.113 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -80.29 -26.82 38.68 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.325 1.05 . . . . 0.0 112.569 -175.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 8.9 t -155.44 159.27 39.7 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.689 1.196 . . . . 0.0 111.721 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.28 147.91 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 125.485 1.514 . . . . 0.0 109.123 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -64.64 -26.62 68.47 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -171.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.52 160.0 17.68 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.465 1.506 . . . . 0.0 112.329 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -148.69 143.92 26.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.666 0.746 . . . . 0.0 112.834 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.4 m -76.8 153.31 35.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.956 0.902 . . . . 0.0 113.189 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.0 p -160.43 174.7 13.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.464 1.506 . . . . 0.0 112.411 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -88.88 137.51 32.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.65 0.78 . . . . 0.0 109.124 165.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.28 165.53 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.563 1.945 . . . . 0.0 110.112 -172.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.7 135.55 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.066 0.946 . . . . 0.0 111.95 -172.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 50.6 m -104.84 119.93 40.19 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.484 1.113 . . . . 0.0 108.333 167.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.34 116.26 13.68 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 164.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -76.03 -21.96 56.26 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.081 0.952 . . . . 0.0 112.332 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -71.0 -47.93 56.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.989 1.315 . . . . 0.0 110.946 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.39 -20.63 18.95 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? 74.35 17.17 3.24 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 128.511 2.724 . . . . 0.0 115.116 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -94.33 158.15 15.71 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 120.67 -1.269 . . . . 0.0 112.224 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 25.3 m -125.5 137.73 53.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.032 1.333 . . . . 0.0 110.474 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.56 -172.47 2.92 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.769 1.628 . . . . 0.0 111.504 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.11 -27.11 62.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.887 1.275 . . . . 0.0 113.444 -172.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -159.14 154.59 22.39 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.469 1.908 . . . . 0.0 112.065 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.48 147.61 41.34 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.735 2.29 . . . . 0.0 110.664 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.5 159.65 33.59 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.39 -35.77 74.55 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.473 -0.767 . . . . 0.0 112.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 8.8 p -67.23 -41.56 85.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.272 1.029 . . . . 0.0 112.038 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.4 -38.47 84.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.337 1.055 . . . . 0.0 111.65 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.3 t -70.04 -43.4 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.022 0.929 . . . . 0.0 111.279 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.8 t -68.98 -41.61 77.64 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.144 0.884 . . . . 0.0 113.267 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -80.62 -9.99 59.76 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.888 0.875 . . . . 0.0 113.052 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.92 52.88 5.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.211 1.804 . . . . 0.0 112.417 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -60.34 157.16 14.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.189 0.996 . . . . 0.0 110.51 169.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -89.11 120.44 30.51 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.215 0.606 . . . . 0.0 109.951 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.18 147.09 46.07 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.132 0.973 . . . . 0.0 112.063 177.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -110.13 124.96 52.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.821 1.248 . . . . 0.0 110.213 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -89.35 149.96 22.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.25 1.02 . . . . 0.0 112.268 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -161.97 -177.55 5.87 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.797 2.039 . . . . 0.0 110.826 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -94.72 148.09 22.65 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.802 -1.186 . . . . 0.0 112.867 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -154.85 -170.04 20.12 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 126.181 1.848 . . . . 0.0 112.835 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.0 t -137.32 136.81 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.33 1.452 . . . . 0.0 109.923 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -107.11 145.07 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.18 1.392 . . . . 0.0 113.01 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.32 150.59 49.52 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.867 . . . . 0.0 110.052 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -113.23 141.85 46.49 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.405 1.482 . . . . 0.0 112.09 -168.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.96 149.49 47.59 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.265 1.026 . . . . 0.0 113.271 -170.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -123.46 144.22 49.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.989 2.116 . . . . 0.0 111.937 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 35.1 t -97.58 152.34 38.12 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.634 1.974 . . . . 0.0 111.082 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -56.75 -24.93 57.97 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.083 2.522 . . . . 0.0 115.482 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.78 -11.33 60.13 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.36 -11.68 51.15 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 126.383 1.944 . . . . 0.0 114.579 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -61.89 156.23 21.35 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.507 1.154 . . . . 0.0 112.579 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -131.08 152.73 50.07 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.101 1.36 . . . . 0.0 111.534 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -158.08 177.44 11.31 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.615 1.166 . . . . 0.0 112.336 173.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.5 142.96 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 126.531 1.932 . . . . 0.0 109.325 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.0 t -140.15 161.22 38.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.755 0.822 . . . . 0.0 111.039 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 78.7 mt -85.99 -17.26 35.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.804 0.842 . . . . 0.0 112.195 165.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -95.46 170.84 9.08 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.383 0.992 . . . . 0.0 111.4 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -63.43 -9.85 14.48 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.3 tp -160.08 149.77 14.55 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.555 1.942 . . . . 0.0 109.363 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.28 176.93 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 124.695 3.597 . . . . 0.0 113.562 169.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 8.79 1.0 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.87 1.668 . . . . 0.0 113.192 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -100.08 -18.65 16.88 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -158.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 66.6 m80 71.6 152.47 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.237 2.615 . . . . 0.0 113.241 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.0 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.252 1.421 . . . . 0.0 112.634 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 42.0 p -85.55 -10.5 55.86 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.053 1.341 . . . . 0.0 113.917 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 53.2 m -104.66 -42.17 5.48 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.741 1.216 . . . . 0.0 112.487 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.5 p -123.48 -12.26 7.76 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.501 1.667 . . . . 0.0 115.501 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.98 -10.16 75.05 Favored Glycine 0 N--CA 1.479 1.521 0 C-N-CA 125.595 1.569 . . . . 0.0 115.935 164.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 -169.02 2.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.934 1.367 . . . . 0.0 113.049 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -131.08 106.52 8.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.989 1.316 . . . . 0.0 110.464 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -146.8 29.16 1.01 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.145 1.778 . . . . 0.0 112.212 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -60.89 145.66 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.729 -1.232 . . . . 0.0 114.133 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -132.4 140.67 48.56 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.0 2.12 . . . . 0.0 109.007 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -70.74 136.61 49.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.835 -0.54 . . . . 0.0 111.006 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.96 176.56 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.393 1.477 . . . . 0.0 111.847 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -77.76 -172.78 39.36 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.013 1.292 . . . . 0.0 115.816 -174.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 27.0 ttt -66.59 147.85 52.71 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.682 1.593 . . . . 0.0 112.617 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 9.9 mp -70.3 127.02 31.35 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.211 1.004 . . . . 0.0 109.896 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -90.81 -0.14 57.63 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.14 151.17 9.9 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.58 2.352 . . . . 0.0 110.116 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.24 -21.35 65.74 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 26.9 m -71.9 -24.12 61.6 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.276 1.831 . . . . 0.0 112.39 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 76.63 178.89 46.8 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.613 1.578 . . . . 0.0 112.657 -170.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.58 151.56 53.7 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.797 2.998 . . . . 0.0 112.267 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -152.37 156.13 38.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.121 0.968 . . . . 0.0 112.984 -172.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 75.4 mt -78.9 -17.74 55.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.693 1.197 . . . . 0.0 113.598 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -177.86 -168.17 37.03 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.843 1.211 . . . . 0.0 114.077 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.345 0 C-N-CA 125.672 1.606 . . . . 0.0 113.668 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.99 153.09 53.82 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 124.967 3.778 . . . . 0.0 113.111 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 98.8 mmm -87.13 147.58 25.58 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.241 1.016 . . . . 0.0 112.135 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 171.95 166.59 30.85 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.548 1.071 . . . . 0.0 113.793 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 99.6 mmm -93.96 151.0 19.86 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.828 1.251 . . . . 0.0 112.561 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -97.89 167.75 10.73 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.844 1.258 . . . . 0.0 110.743 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 5.8 t -158.15 178.7 9.9 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.091 -1.005 . . . . 0.0 112.525 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 17.6 mm -106.36 158.63 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 126.627 1.971 . . . . 0.0 110.842 -173.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -70.48 21.15 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 116.088 1.885 . . . . 0.0 116.088 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -139.84 155.31 47.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.884 2.074 . . . . 0.0 109.766 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -139.29 141.05 37.77 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.283 0.633 . . . . 0.0 112.191 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.1 p -71.74 150.24 44.64 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.178 0.99 . . . . 0.0 112.813 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 33.8 t -157.9 162.35 38.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.362 1.465 . . . . 0.0 110.274 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -84.58 143.15 29.47 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.506 0.722 . . . . 0.0 110.291 168.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 11.8 m -142.77 164.35 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.389 1.876 . . . . 0.0 110.94 -171.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.67 139.03 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 125.881 1.672 . . . . 0.0 110.826 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 63.3 m -109.74 115.59 30.13 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.972 1.309 . . . . 0.0 108.254 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.4 117.05 14.69 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 168.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.42 -21.21 59.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.613 1.165 . . . . 0.0 112.007 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 27.4 m -80.93 -42.55 21.17 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.669 1.188 . . . . 0.0 111.478 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 82.6 m -99.11 -18.64 17.61 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 70.24 34.53 2.32 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.464 2.305 . . . . 0.0 113.75 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.33 158.86 18.55 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.792 1.237 . . . . 0.0 112.219 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 22.1 m -122.11 132.55 54.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.622 1.569 . . . . 0.0 109.694 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -159.51 -178.35 7.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.221 1.408 . . . . 0.0 111.533 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' A' ' 796' ' ' LYS . 1.4 m-85 -70.52 -26.96 63.82 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.916 1.286 . . . . 0.0 113.328 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -158.47 155.67 25.89 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.913 1.685 . . . . 0.0 112.279 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -81.33 160.19 20.02 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.307 2.672 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -75.43 157.9 33.45 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.746 0.784 . . . . 0.0 112.777 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.47 -33.91 74.55 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.719 -0.613 . . . . 0.0 111.457 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 17.7 p -66.25 -41.88 89.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.551 1.14 . . . . 0.0 112.024 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.2 m -63.96 -40.2 95.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.475 0.71 . . . . 0.0 111.554 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.81 -43.29 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.637 0.775 . . . . 0.0 111.555 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 74.4 m -72.25 -38.0 68.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.466 1.107 . . . . 0.0 113.784 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -81.62 -3.91 54.68 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.534 1.134 . . . . 0.0 112.543 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 58.18 49.75 10.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.063 1.745 . . . . 0.0 112.119 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -60.48 151.69 27.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.092 0.957 . . . . 0.0 110.276 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -83.77 138.82 33.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.111 0.564 . . . . 0.0 109.975 172.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.15 147.02 37.77 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -108.71 123.97 49.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.717 1.207 . . . . 0.0 109.847 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.32 147.27 23.05 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.014 0.926 . . . . 0.0 112.277 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -163.08 -178.58 6.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -100.07 150.78 22.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.153 -0.967 . . . . 0.0 112.341 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -152.67 -157.1 7.84 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 126.659 2.076 . . . . 0.0 112.347 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.91 137.56 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.359 1.464 . . . . 0.0 110.902 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 776' ' ' PHE . 11.6 ptmt -111.9 143.3 43.1 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.884 1.273 . . . . 0.0 113.967 -170.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.85 153.69 32.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.338 2.255 . . . . 0.0 110.03 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.78 142.83 43.65 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.421 1.489 . . . . 0.0 110.817 -171.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -137.64 150.57 47.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.794 0.806 . . . . 0.0 113.024 -172.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -130.94 141.84 50.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.219 1.808 . . . . 0.0 111.619 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.74 149.44 35.72 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.21 1.804 . . . . 0.0 110.22 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.41 -21.69 46.42 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.473 2.782 . . . . 0.0 116.053 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.3 p -76.02 -10.92 59.81 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.374 1.443 . . . . 0.0 113.817 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.62 -13.9 42.44 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.643 2.068 . . . . 0.0 114.502 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -62.94 158.6 18.8 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.112 1.456 . . . . 0.0 113.007 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -131.51 162.37 30.41 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.224 1.41 . . . . 0.0 112.548 -170.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -161.71 174.64 12.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.951 1.7 . . . . 0.0 110.983 169.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.4 mt -142.29 141.55 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.903 2.081 . . . . 0.0 108.513 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 20.6 t -155.3 168.0 28.5 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.863 0.865 . . . . 0.0 111.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -95.5 -23.73 16.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.241 1.816 . . . . 0.0 110.991 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -85.86 169.81 12.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.037 1.335 . . . . 0.0 111.715 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -61.2 -15.84 38.61 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.53 131.83 3.92 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 127.123 2.169 . . . . 0.0 108.806 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.78 150.92 83.31 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.895 3.063 . . . . 0.0 112.181 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -15.8 45.05 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 168.91 13.63 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -167.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -71.1 162.28 29.69 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.411 1.484 . . . . 0.0 114.604 -175.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.18 131.24 48.81 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.447 1.099 . . . . 0.0 111.878 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 9.9 m -72.32 -13.63 61.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.521 1.128 . . . . 0.0 113.626 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.54 -40.8 5.23 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.005 1.322 . . . . 0.0 112.277 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.86 -13.28 6.94 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.54 -5.2 80.21 Favored Glycine 0 N--CA 1.474 1.229 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 165.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 -169.31 2.54 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.841 1.32 . . . . 0.0 112.724 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -135.98 89.17 2.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.357 1.463 . . . . 0.0 110.178 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -137.32 32.54 2.57 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.528 1.531 . . . . 0.0 112.207 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -59.87 139.61 57.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -125.46 131.93 52.77 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.282 1.833 . . . . 0.0 108.897 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -72.01 129.68 39.12 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.03 0.532 . . . . 0.0 110.281 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.9 m -127.98 169.0 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.767 1.627 . . . . 0.0 111.419 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -79.03 -172.38 42.13 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.56 1.076 . . . . 0.0 115.266 -174.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 28.4 ttt -77.67 122.92 25.99 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.406 1.082 . . . . 0.0 111.845 -170.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.45 ' CD2' ' H ' ' A' ' 832' ' ' LEU . 1.2 pt? -61.73 141.43 57.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.608 2.363 . . . . 0.0 112.276 167.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -91.07 -5.22 55.53 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -93.7 -174.6 3.51 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.145 1.778 . . . . 0.0 111.2 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -60.91 157.56 15.02 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 121.242 -0.911 . . . . 0.0 112.562 173.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 30.0 p -65.24 -20.42 66.42 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.249 1.819 . . . . 0.0 114.509 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -97.12 105.29 3.17 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-O 117.902 -1.499 . . . . 0.0 110.881 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.31 158.63 33.2 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.826 3.018 . . . . 0.0 111.776 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -76.99 -23.1 52.29 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 97.6 mt -87.33 164.98 15.96 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.883 1.673 . . . . 0.0 110.875 172.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 81.98 -175.0 53.96 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.585 1.088 . . . . 0.0 113.397 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.321 0 CA-C-O 117.824 -1.542 . . . . 0.0 113.255 -178.727 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -76.88 -22.97 11.2 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.816 3.011 . . . . 0.0 113.093 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 96.6 mtp -140.73 154.18 46.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.468 1.507 . . . . 0.0 111.582 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -93.45 173.36 33.97 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.991 1.281 . . . . 0.0 112.749 172.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 67.2 mtt -74.6 135.61 42.03 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.834 0.854 . . . . 0.0 111.464 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -164.76 125.48 2.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.46 1.504 . . . . 0.0 109.6 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 24.4 p -174.16 89.63 0.06 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.39 1.476 . . . . 0.0 110.817 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 11.2 mm -115.08 145.0 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.026 1.33 . . . . 0.0 109.923 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.28 28.09 0.32 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -132.62 154.28 50.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.752 2.021 . . . . 0.0 109.647 175.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -141.98 141.96 32.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -161.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 33.2 p -77.17 145.25 37.81 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.486 0.715 . . . . 0.0 112.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -161.78 167.71 24.43 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.901 1.281 . . . . 0.0 111.845 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -75.86 140.63 42.32 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 110.785 174.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 13.3 m -139.55 165.52 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 127.636 2.374 . . . . 0.0 110.217 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 137.03 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.944 1.298 . . . . 0.0 111.709 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 90.8 m -106.2 116.94 32.79 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.01 1.324 . . . . 0.0 108.705 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.42 123.45 24.71 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 167.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -81.13 -20.18 41.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.206 1.002 . . . . 0.0 112.417 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -82.55 -38.97 22.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.274 1.43 . . . . 0.0 111.519 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.73 -16.36 16.02 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.313 1.045 . . . . 0.0 113.763 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.71 20.11 4.74 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.379 2.272 . . . . 0.0 113.987 176.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -88.16 162.11 16.89 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.106 -0.996 . . . . 0.0 112.5 172.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 89.9 m -126.29 121.97 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.804 1.242 . . . . 0.0 109.307 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -135.39 178.83 6.73 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.366 1.866 . . . . 0.0 111.054 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -67.31 -32.73 73.89 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.25 1.42 . . . . 0.0 112.751 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -158.89 155.96 25.72 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 126.628 1.971 . . . . 0.0 111.557 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.88 150.48 34.53 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.343 2.029 . . . . 0.0 110.035 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -71.25 159.6 34.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.283 1.039 . . . . 0.0 112.373 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.6 -37.71 76.43 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.826 0.851 . . . . 0.0 111.754 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.8 p -65.34 -42.29 93.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.783 1.233 . . . . 0.0 111.74 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 92.0 m -66.43 -39.22 88.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.129 0.972 . . . . 0.0 112.021 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 88.2 t -69.83 -43.99 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.922 0.889 . . . . 0.0 111.389 173.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 24.3 t -71.4 -42.47 68.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -75.78 -14.45 60.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.284 1.034 . . . . 0.0 112.695 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 70.5 43.69 0.76 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.11 1.764 . . . . 0.0 112.59 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -58.27 154.17 13.85 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.04 1.336 . . . . 0.0 110.221 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -80.2 138.09 36.78 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.644 0.778 . . . . 0.0 109.815 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.21 150.43 46.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 174.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -112.15 121.0 43.73 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.946 1.298 . . . . 0.0 109.187 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -87.41 148.05 25.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.929 0.891 . . . . 0.0 111.79 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -162.31 178.82 8.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 111.142 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -93.13 145.9 24.06 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.354 -0.841 . . . . 0.0 111.833 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -149.67 -155.08 6.63 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.064 2.268 . . . . 0.0 111.817 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.11 136.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.381 1.473 . . . . 0.0 110.679 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.56 141.1 48.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.822 1.249 . . . . 0.0 112.771 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.47 155.18 44.13 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.874 2.069 . . . . 0.0 110.373 177.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 831' ' ' MET . 29.2 m-85 -115.79 146.85 41.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.321 1.448 . . . . 0.0 111.388 -164.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -141.47 149.62 41.19 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -131.61 138.89 49.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.86 1.664 . . . . 0.0 111.986 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 43.5 t -95.49 148.75 35.11 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 127.201 2.2 . . . . 0.0 110.669 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.4 -18.71 47.42 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.295 2.663 . . . . 0.0 115.967 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.98 -10.55 59.44 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.438 1.472 . . . . 0.0 113.964 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 103.22 -8.99 53.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.724 2.107 . . . . 0.0 114.838 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.02 150.97 47.07 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.241 1.52 . . . . 0.0 111.87 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -135.51 159.53 41.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.657 1.183 . . . . 0.0 112.808 -171.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -154.89 178.64 9.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.553 1.541 . . . . 0.0 111.569 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.18 146.97 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.61 1.964 . . . . 0.0 108.804 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.0 t -147.21 160.75 42.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 122.359 1.076 . . . . 0.0 112.793 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.99 -8.26 43.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.896 2.079 . . . . 0.0 111.758 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -110.88 174.4 5.88 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.858 2.063 . . . . 0.0 111.23 173.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.08 -10.2 9.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.9 tp -156.79 144.08 13.76 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.292 2.237 . . . . 0.0 109.144 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -69.47 152.62 70.84 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.989 2.459 . . . . 0.0 110.942 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -3.03 53.87 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 155.55 27.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.814 1.646 . . . . 0.0 112.986 -171.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -79.72 165.55 22.7 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.97 1.308 . . . . 0.0 111.963 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.7 t -61.25 133.35 55.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.435 -0.79 . . . . 0.0 112.684 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 14.0 m -72.93 -16.38 61.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.583 1.153 . . . . 0.0 113.306 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.0 m -107.66 -31.15 8.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.15 1.38 . . . . 0.0 112.325 -169.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 15.6 p -138.92 -13.18 1.24 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 90.23 5.06 70.56 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 115.984 1.154 . . . . 0.0 115.984 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.09 167.66 9.61 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.051 1.426 . . . . 0.0 113.718 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -130.6 49.38 2.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.512 1.525 . . . . 0.0 110.598 166.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -109.84 23.33 14.53 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.35 1.86 . . . . 0.0 113.126 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -46.83 129.61 11.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.789 2.035 . . . . 0.0 114.115 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -106.34 132.24 52.61 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.109 1.763 . . . . 0.0 109.954 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 125.18 23.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.266 0.627 . . . . 0.0 110.547 173.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.82 177.46 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 126.147 1.779 . . . . 0.0 110.159 170.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -121.28 159.52 15.83 Favored Glycine 0 N--CA 1.473 1.13 0 N-CA-C 115.086 0.794 . . . . 0.0 115.086 -170.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . 0.427 ' HB3' ' CE2' ' A' ' 798' ' ' PHE . 16.1 tpt -164.08 138.22 5.59 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.097 1.359 . . . . 0.0 113.737 166.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -171.02 155.29 4.42 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.045 2.138 . . . . 0.0 110.919 -172.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -97.14 -5.04 38.17 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -167.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.98 151.03 20.72 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.461 1.504 . . . . 0.0 112.294 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -76.99 162.77 27.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.723 1.209 . . . . 0.0 112.627 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 9.1 t -163.8 157.17 18.63 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.253 1.821 . . . . 0.0 111.013 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -101.02 161.64 18.43 Favored Glycine 0 CA--C 1.545 1.925 0 C-N-CA 125.523 1.535 . . . . 0.0 113.498 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.41 105.47 2.05 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.765 2.977 . . . . 0.0 110.002 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -16.69 63.61 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -169.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -81.29 -15.59 55.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.35 1.46 . . . . 0.0 114.229 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 73.54 -144.35 34.06 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.161 0.886 . . . . 0.0 112.503 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.9 -1.5 . . . . 0.0 112.65 178.581 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.347 0 CA-C-O 119.522 -0.599 . . . . 0.0 112.713 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.49 158.48 47.8 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 124.054 3.169 . . . . 0.0 111.302 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -82.45 -49.95 9.39 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.406 0.682 . . . . 0.0 112.232 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -98.05 -30.04 7.29 Favored Glycine 0 N--CA 1.474 1.201 0 C-N-CA 124.233 0.921 . . . . 0.0 114.507 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -84.48 32.72 0.51 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.757 1.623 . . . . 0.0 113.457 -171.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -84.86 -9.77 57.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.229 1.412 . . . . 0.0 113.497 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 61.8 p -87.79 -103.03 0.08 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.998 1.719 . . . . 0.0 113.004 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 24.4 mm -94.79 163.0 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 127.491 2.317 . . . . 0.0 110.888 -171.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -72.55 55.87 0.37 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.419 1.888 . . . . 0.0 114.33 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -167.7 164.9 14.45 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.823 2.849 . . . . 0.0 110.305 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -152.73 142.25 21.75 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.55 0.74 . . . . 0.0 111.712 -172.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 21.4 p -70.09 142.42 52.64 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 111.725 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 36.6 t -154.37 155.46 35.1 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.276 1.03 . . . . 0.0 111.505 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -73.54 141.56 46.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 109.989 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 10.8 m -139.51 163.1 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.274 2.23 . . . . 0.0 110.906 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 10.8 p -134.52 141.55 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 126.419 1.888 . . . . 0.0 110.394 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 89.5 m -112.18 117.52 32.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.993 1.317 . . . . 0.0 108.937 168.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 49.1 t -74.44 123.06 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.562 0.745 . . . . 0.0 109.065 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.47 -17.78 47.49 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.312 -0.867 . . . . 0.0 112.622 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 57.7 m -81.69 -40.41 22.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.441 1.096 . . . . 0.0 111.429 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 61.7 m -101.83 -16.72 16.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 72.17 22.24 3.69 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.594 2.358 . . . . 0.0 113.533 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -99.2 156.08 17.15 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.445 1.098 . . . . 0.0 112.946 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 59.7 m -120.53 132.13 55.03 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.445 1.498 . . . . 0.0 110.114 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -155.39 -178.35 7.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.11 1.764 . . . . 0.0 111.344 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -68.34 -32.07 71.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 0.0 113.131 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -159.68 154.7 21.44 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 126.609 1.964 . . . . 0.0 111.574 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -78.08 151.0 26.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.987 2.458 . . . . 0.0 110.599 -175.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -68.09 157.21 35.77 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.485 0.714 . . . . 0.0 112.416 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.06 -31.49 71.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.5 p -66.16 -45.52 80.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.312 1.445 . . . . 0.0 110.992 171.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.96 -41.4 97.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.06 0.944 . . . . 0.0 111.879 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.78 -43.18 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.625 0.77 . . . . 0.0 111.469 175.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -39.62 69.26 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.211 -0.931 . . . . 0.0 113.3 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -80.21 -3.04 47.46 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.669 1.188 . . . . 0.0 112.767 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 22.7 m120 62.46 45.48 6.37 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.88 1.672 . . . . 0.0 113.079 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.09 154.16 20.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.017 0.927 . . . . 0.0 110.756 172.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.94 138.0 32.76 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.913 0.885 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.5 152.17 37.58 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -116.78 137.38 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.871 1.269 . . . . 0.0 110.802 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -103.98 150.83 23.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.664 1.185 . . . . 0.0 112.348 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -164.92 -167.02 1.12 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.701 2.0 . . . . 0.0 110.808 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -115.92 151.15 35.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.608 1.163 . . . . 0.0 112.422 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -151.43 -152.23 5.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 127.532 2.492 . . . . 0.0 112.213 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -150.47 136.56 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.429 1.492 . . . . 0.0 110.74 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -109.38 144.54 37.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.856 1.262 . . . . 0.0 114.198 -170.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -118.62 146.2 44.83 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.152 2.581 . . . . 0.0 109.944 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -112.11 138.33 48.92 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.374 1.069 . . . . 0.0 112.43 -171.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -133.09 148.74 52.16 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.162 0.985 . . . . 0.0 113.533 -172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -127.87 141.74 51.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.012 1.725 . . . . 0.0 111.535 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 46.5 t -96.85 149.02 35.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.542 1.937 . . . . 0.0 109.992 170.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.72 -19.37 45.75 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.589 2.859 . . . . 0.0 115.764 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.1 p -77.13 -11.19 59.78 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 120.251 1.387 . . . . 0.0 114.005 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.59 -14.61 38.66 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.73 2.109 . . . . 0.0 114.496 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.01 154.76 25.72 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.53 1.165 . . . . 0.0 112.316 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -129.12 156.42 43.91 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.381 1.472 . . . . 0.0 112.344 -172.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.7 t -155.24 172.59 17.92 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.664 1.586 . . . . 0.0 111.599 168.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.6 mt -140.37 141.69 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.526 1.93 . . . . 0.0 108.699 -175.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 17.5 t -153.83 172.07 17.93 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.223 -0.923 . . . . 0.0 111.155 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.76 -24.96 18.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.402 1.481 . . . . 0.0 111.834 -175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -91.02 166.3 13.08 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.437 1.495 . . . . 0.0 111.691 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.95 -9.56 16.29 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.326 1.45 . . . . 0.0 114.835 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.26 138.31 10.62 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.049 1.74 . . . . 0.0 109.529 171.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -73.7 160.43 43.85 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.076 2.517 . . . . 0.0 110.873 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.09 21.23 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.97 153.14 19.66 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.386 1.474 . . . . 0.0 113.238 -172.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -80.63 164.66 22.7 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.131 0.972 . . . . 0.0 112.405 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.48 135.87 57.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.888 1.275 . . . . 0.0 112.43 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 12.6 p -82.64 -8.87 59.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.347 1.459 . . . . 0.0 113.74 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.3 m -106.27 -40.32 5.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.046 1.338 . . . . 0.0 112.81 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.3 -13.91 6.02 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.33 -8.02 72.14 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 164.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.13 -172.98 4.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.11 1.455 . . . . 0.0 113.097 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -128.71 100.97 5.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.214 1.405 . . . . 0.0 109.954 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -144.85 29.36 1.22 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.614 1.566 . . . . 0.0 112.343 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -60.6 141.32 56.8 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.341 1.056 . . . . 0.0 113.527 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -130.98 137.54 49.29 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.493 1.917 . . . . 0.0 109.913 176.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -64.88 119.17 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.155 1.382 . . . . 0.0 110.445 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -119.14 168.07 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.428 1.491 . . . . 0.0 110.774 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -76.82 174.88 54.01 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 122.153 0.863 . . . . 0.0 114.855 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 55.3 ttp -68.82 148.08 50.8 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.499 1.12 . . . . 0.0 112.124 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.53 112.03 13.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.869 1.268 . . . . 0.0 110.337 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -77.91 -18.44 56.12 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.72 147.24 25.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.828 2.851 . . . . 0.0 109.216 171.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.62 146.48 44.6 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.667 -0.645 . . . . 0.0 112.338 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 17.4 m -67.1 138.38 57.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.802 1.641 . . . . 0.0 110.109 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -83.78 -175.77 51.01 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.537 1.065 . . . . 0.0 114.15 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.82 139.78 89.83 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 124.175 3.25 . . . . 0.0 112.543 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -85.45 161.53 19.37 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.181 0.992 . . . . 0.0 112.94 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.76 -24.85 59.92 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.735 1.214 . . . . 0.0 112.862 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 78.82 -160.17 46.58 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.793 1.187 . . . . 0.0 113.602 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 C-N-CA 125.439 1.495 . . . . 0.0 112.917 -177.35 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 119.518 -0.601 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -54.01 -29.93 56.96 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 124.789 3.659 . . . . 0.0 115.008 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -60.64 -26.12 66.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.539 1.536 . . . . 0.0 113.782 -177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -115.0 5.97 21.99 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 126.06 1.79 . . . . 0.0 114.775 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 38.3 tpp -76.65 158.12 31.31 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.873 1.269 . . . . 0.0 112.912 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -129.76 178.3 6.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.984 1.714 . . . . 0.0 110.805 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 50.3 m -82.8 70.29 9.76 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.812 -1.18 . . . . 0.0 112.263 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 19.0 mm -70.53 150.83 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 125.15 1.38 . . . . 0.0 112.355 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -74.32 19.04 0.13 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.324 1.85 . . . . 0.0 115.672 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -130.96 133.03 45.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.269 1.828 . . . . 0.0 107.576 164.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -119.6 142.56 48.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -157.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.2 m -62.8 140.04 58.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.991 0.916 . . . . 0.0 112.392 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 8.6 t -149.6 163.48 37.75 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.655 1.182 . . . . 0.0 111.149 -172.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -90.83 134.57 34.34 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.108 0.963 . . . . 0.0 110.046 169.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.68 170.2 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.889 2.075 . . . . 0.0 110.483 -167.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.5 p -131.82 142.01 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.801 1.24 . . . . 0.0 111.152 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 53.0 m -111.32 116.92 31.79 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.139 0.976 . . . . 0.0 108.683 161.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 37.8 t -75.12 117.92 17.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 168.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.2 -20.29 52.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.297 1.039 . . . . 0.0 112.544 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 36.8 m -76.98 -42.69 37.91 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.693 1.197 . . . . 0.0 111.678 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 86.4 m -99.56 -16.72 18.17 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 55.6 mttm 85.76 6.8 0.4 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.061 2.944 . . . . 0.0 114.57 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -103.22 161.64 13.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.509 1.124 . . . . 0.0 113.999 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 21.9 m -110.51 138.32 47.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.686 1.595 . . . . 0.0 109.95 175.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.87 172.92 16.62 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.723 1.609 . . . . 0.0 112.485 -174.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.69 -33.61 74.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.15 0.98 . . . . 0.0 112.618 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -163.19 153.01 13.09 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 126.721 2.008 . . . . 0.0 111.151 -173.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -75.31 158.1 41.15 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.089 2.526 . . . . 0.0 110.23 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.3 158.23 36.21 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.205 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.16 -32.58 72.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.644 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -69.76 -39.9 76.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.8 1.24 . . . . 0.0 112.194 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.85 -42.45 94.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.301 0.955 . . . . 0.0 111.609 175.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.43 -42.71 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.803 0.841 . . . . 0.0 110.883 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.9 t -68.22 -43.29 78.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.168 0.895 . . . . 0.0 112.847 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.91 -3.8 40.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.078 0.951 . . . . 0.0 113.092 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 57.57 50.59 10.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.294 1.838 . . . . 0.0 112.127 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -61.42 153.18 27.76 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.309 1.044 . . . . 0.0 110.593 169.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -86.25 135.0 33.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.582 0.753 . . . . 0.0 110.227 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.77 153.91 48.46 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.628 0.771 . . . . 0.0 112.396 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -114.17 128.55 56.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.13 1.372 . . . . 0.0 109.232 166.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -91.96 146.09 24.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.343 1.057 . . . . 0.0 111.141 172.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -163.41 178.46 8.06 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.222 1.809 . . . . 0.0 110.978 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.65 154.29 17.41 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 121.14 -0.975 . . . . 0.0 112.839 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -160.85 -157.87 8.97 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.924 2.202 . . . . 0.0 111.614 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.9 139.29 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.388 1.475 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -111.2 136.83 49.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.844 1.658 . . . . 0.0 112.527 -172.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.36 143.22 35.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.893 1.677 . . . . 0.0 109.22 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 831' ' ' MET . 20.4 m-85 -104.28 147.93 26.94 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.673 1.189 . . . . 0.0 110.236 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -135.97 143.51 44.89 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.461 0.704 . . . . 0.0 112.508 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -120.84 141.56 50.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.085 1.754 . . . . 0.0 111.89 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.41 149.23 35.85 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.518 1.927 . . . . 0.0 110.322 168.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -58.17 -22.62 57.57 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.196 2.597 . . . . 0.0 115.503 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.7 p -76.09 -12.98 60.21 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 120.218 1.372 . . . . 0.0 114.506 173.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.85 -13.36 34.83 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.363 1.935 . . . . 0.0 114.719 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -61.29 153.74 25.64 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.371 1.585 . . . . 0.0 112.154 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 27.1 mmt-85 -128.91 160.0 34.03 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.104 1.362 . . . . 0.0 112.812 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.1 t -158.44 178.27 10.34 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.276 1.83 . . . . 0.0 110.691 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 9.7 mt -141.31 146.5 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 126.27 1.828 . . . . 0.0 108.641 -175.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.3 t -141.48 159.03 43.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.258 0.623 . . . . 0.0 111.409 170.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.3 mt -82.86 -14.23 54.68 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.593 -0.692 . . . . 0.0 111.881 164.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -100.9 169.05 9.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.109 1.764 . . . . 0.0 112.025 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.41 -13.53 13.93 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.691 1.996 . . . . 0.0 115.238 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.6 tp -161.07 138.9 6.99 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.963 1.705 . . . . 0.0 109.882 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.74 157.57 43.76 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.383 2.722 . . . . 0.0 111.013 172.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -87.47 -27.36 22.72 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.83 147.98 30.18 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.585 1.154 . . . . 0.0 112.974 -164.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -82.08 161.04 23.04 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.906 -1.121 . . . . 0.0 111.683 172.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.41 139.45 58.2 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.814 1.246 . . . . 0.0 113.146 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -80.51 -17.21 52.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.219 1.008 . . . . 0.0 112.941 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 87.4 m -104.36 -36.6 7.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.013 1.325 . . . . 0.0 112.298 -168.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -129.87 -13.6 4.11 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.93 69.61 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.124 1.345 . . . . 0.0 116.011 163.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.64 -170.23 2.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.151 1.475 . . . . 0.0 113.026 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -133.23 95.55 3.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.614 1.565 . . . . 0.0 110.036 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.04 33.63 1.74 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.577 1.551 . . . . 0.0 112.111 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -61.03 134.53 57.18 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.942 -1.098 . . . . 0.0 113.211 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -119.65 135.6 54.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.134 1.774 . . . . 0.0 109.201 172.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -66.61 131.46 46.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.188 0.595 . . . . 0.0 110.414 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.31 169.65 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.328 1.851 . . . . 0.0 110.091 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -101.13 158.5 18.96 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.498 1.047 . . . . 0.0 114.585 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . 0.422 ' HB3' ' CE2' ' A' ' 798' ' ' PHE . 28.1 ttt -162.11 143.48 10.77 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.884 1.674 . . . . 0.0 112.927 168.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . 0.284 0.0 OUTLIER -150.67 -137.55 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.926 1.29 . . . . 0.0 110.45 -166.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -69.71 -3.27 14.58 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -170.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.41 149.11 28.97 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.235 1.414 . . . . 0.0 112.207 176.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.4 -66.77 0.1 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.79 2.436 . . . . 0.0 115.495 172.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 18.3 p 70.15 -41.75 0.5 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 131.147 3.779 . . . . 0.0 113.53 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -131.79 177.72 18.43 Favored Glycine 0 CA--C 1.542 1.731 0 C-N-CA 127.035 2.255 . . . . 0.0 111.71 166.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.81 -23.63 22.2 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.76 2.973 . . . . 0.0 113.007 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -148.31 160.19 43.24 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.837 1.655 . . . . 0.0 112.15 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 8.0 tt -87.7 145.68 26.04 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.381 1.473 . . . . 0.0 111.3 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 87.01 177.95 49.01 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.97 1.271 . . . . 0.0 113.569 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.268 0 C-N-CA 125.687 1.613 . . . . 0.0 112.841 -177.534 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 CA-C-O 118.812 -0.993 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -59.42 164.68 10.56 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 124.828 3.686 . . . . 0.0 113.388 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 28.3 ptm -154.79 162.25 41.19 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.868 1.267 . . . . 0.0 112.575 -177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 89.01 163.14 39.19 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.908 1.242 . . . . 0.0 113.631 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.84 2.07 50.25 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.187 1.395 . . . . 0.0 114.087 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -152.03 145.99 25.22 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.285 1.834 . . . . 0.0 110.52 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 72.3 p -155.96 160.55 40.19 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.382 1.473 . . . . 0.0 111.293 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 11.6 mm -86.91 150.48 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.09 0.956 . . . . 0.0 110.255 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -76.98 42.3 0.31 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.893 2.077 . . . . 0.0 114.765 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.1 145.88 12.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 129.924 3.289 . . . . 0.0 108.585 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -127.21 137.93 53.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.935 0.894 . . . . 0.0 112.506 -166.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 25.9 m -64.7 129.74 40.96 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.4 -0.812 . . . . 0.0 112.157 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 89.0 m -130.31 173.63 10.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.11 1.764 . . . . 0.0 111.723 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -91.2 143.77 26.32 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.484 0.714 . . . . 0.0 109.768 160.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.74 163.13 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 127.459 2.303 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.6 p -135.2 136.88 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.125 1.37 . . . . 0.0 110.876 -174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 62.0 m -107.8 114.22 28.01 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.81 1.244 . . . . 0.0 108.987 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.2 t -75.28 116.68 16.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -78.52 -17.9 55.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.338 1.055 . . . . 0.0 112.001 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 29.6 m -82.55 -38.55 23.59 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.457 1.503 . . . . 0.0 111.729 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 80.2 m -100.99 -16.43 17.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 68.87 48.67 0.72 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.698 1.999 . . . . 0.0 112.686 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -135.74 160.91 37.07 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.918 1.287 . . . . 0.0 112.516 171.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 29.1 m -119.97 135.95 54.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.527 1.531 . . . . 0.0 110.393 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.83 178.82 9.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.724 1.61 . . . . 0.0 110.563 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -21.16 61.04 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.523 -1.361 . . . . 0.0 114.465 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -155.08 153.42 27.17 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 124.709 1.204 . . . . 0.0 113.224 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -80.6 154.3 20.7 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.456 2.771 . . . . 0.0 109.288 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -76.42 158.98 30.87 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.797 0.808 . . . . 0.0 112.084 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.5 -32.88 72.93 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.623 -0.673 . . . . 0.0 112.172 174.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.9 p -66.32 -43.35 86.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.314 1.046 . . . . 0.0 111.451 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.18 -41.97 96.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.046 0.938 . . . . 0.0 112.088 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.53 -40.88 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.797 0.839 . . . . 0.0 111.096 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 18.0 t -69.66 -43.27 72.91 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.161 0.891 . . . . 0.0 113.205 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.77 -5.74 49.42 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.608 1.163 . . . . 0.0 112.925 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 56.8 51.94 10.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.243 1.817 . . . . 0.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -60.79 153.66 23.85 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.484 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.77 138.34 32.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.533 0.733 . . . . 0.0 110.345 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.12 152.97 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 122.042 0.925 . . . . 0.0 112.783 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -118.25 144.56 45.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.929 1.291 . . . . 0.0 109.757 166.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -105.8 146.97 29.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.08 . . . . 0.0 112.231 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -148.28 177.37 9.48 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.457 2.303 . . . . 0.0 109.854 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -100.2 155.57 17.68 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.374 -1.454 . . . . 0.0 112.841 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -165.98 -156.22 9.25 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.675 1.607 . . . . 0.0 113.163 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.75 135.55 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.11 1.364 . . . . 0.0 110.518 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -100.11 150.26 22.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.713 1.605 . . . . 0.0 113.28 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -120.62 138.01 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.38 2.272 . . . . 0.0 108.971 -169.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 831' ' ' MET . 22.9 m-85 -108.69 142.65 38.88 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.382 1.073 . . . . 0.0 112.216 -171.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -137.19 154.85 50.11 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.812 -173.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.84 142.72 47.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.912 1.685 . . . . 0.0 112.268 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . 0.403 ' SG ' ' HD2' ' A' ' 802' ' ' PRO . 48.1 t -100.59 151.23 37.52 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.971 2.108 . . . . 0.0 111.173 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 801' ' ' CYS . 87.1 Cg_exo -46.76 -33.33 13.67 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 124.031 3.154 . . . . 0.0 116.607 173.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.4 p -77.58 -10.06 59.29 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 102.26 -9.03 55.93 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.177 1.846 . . . . 0.0 114.661 -176.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -62.62 154.82 27.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.882 1.341 . . . . 0.0 111.846 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -125.61 157.11 38.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.025 1.73 . . . . 0.0 111.784 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.7 t -155.34 173.86 16.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.649 1.18 . . . . 0.0 111.432 166.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.9 mt -139.78 146.54 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 126.441 1.896 . . . . 0.0 108.748 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.5 t -147.97 168.31 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.849 1.26 . . . . 0.0 111.055 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 72.7 mt -87.1 -17.53 32.61 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.182 -0.949 . . . . 0.0 112.238 165.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.55 161.26 17.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 112.246 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -64.07 -13.17 45.42 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.55 138.09 10.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 127.221 2.208 . . . . 0.0 108.308 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -71.13 166.11 30.24 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.347 2.698 . . . . 0.0 110.657 174.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 -8.29 12.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.664 1.186 . . . . 0.0 113.75 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -76.04 150.32 37.36 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 112.524 176.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -79.52 165.75 22.66 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.497 -0.752 . . . . 0.0 111.067 167.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 51.1 t -61.9 134.37 56.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.083 0.953 . . . . 0.0 112.791 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 17.5 m -74.09 -15.69 61.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.271 1.029 . . . . 0.0 113.769 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 85.2 m -106.24 -37.73 6.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 112.762 -171.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.56 -14.06 3.72 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.15 -3.65 76.78 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 164.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -177.23 6.6 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.338 1.569 . . . . 0.0 113.309 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -130.07 97.23 4.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.402 1.481 . . . . 0.0 110.028 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -144.05 27.21 1.46 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.959 1.703 . . . . 0.0 111.927 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -55.05 133.54 48.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.233 1.013 . . . . 0.0 112.947 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -114.11 132.31 56.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.916 1.686 . . . . 0.0 109.448 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -66.01 127.48 32.26 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.48 175.66 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.76 1.624 . . . . 0.0 110.589 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -106.8 160.94 14.08 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.577 1.084 . . . . 0.0 114.514 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . 0.443 ' HB3' ' CE2' ' A' ' 798' ' ' PHE . 9.3 ttt -160.08 158.24 30.0 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.945 1.298 . . . . 0.0 111.705 169.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.77 -179.09 6.57 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.958 2.103 . . . . 0.0 109.382 169.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -67.8 -13.96 62.56 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 -167.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -147.1 139.47 24.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.705 2.402 . . . . 0.0 109.901 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -79.49 139.95 37.45 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.217 1.007 . . . . 0.0 112.288 172.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 40.8 p -150.84 169.02 22.7 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.855 2.062 . . . . 0.0 110.794 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -72.45 130.68 15.79 Favored Glycine 0 CA--C 1.543 1.829 0 CA-C-O 117.644 -1.642 . . . . 0.0 110.562 169.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -56.2 145.37 77.08 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.025 3.15 . . . . 0.0 113.82 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -72.67 -21.59 61.05 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.696 0.798 . . . . 0.0 112.299 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.51 135.22 52.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.289 1.436 . . . . 0.0 110.509 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 79.73 -163.6 48.06 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.485 1.04 . . . . 0.0 113.246 -177.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.38 0 C-N-CA 125.288 1.423 . . . . 0.0 113.019 178.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 CA-C-O 119.482 -0.621 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.5 -43.86 0.88 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.657 2.905 . . . . 0.0 113.151 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 39.9 ttp 72.29 -27.21 0.18 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.924 2.49 . . . . 0.0 113.953 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -176.76 153.58 14.33 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.41 1.481 . . . . 0.0 113.936 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 70.5 mtm 72.73 -29.3 0.2 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.224 2.609 . . . . 0.0 115.856 162.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -76.8 -31.91 57.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.278 1.031 . . . . 0.0 112.494 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 21.6 m -94.67 153.55 17.76 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.76 1.224 . . . . 0.0 112.761 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 21.9 mm -89.34 146.61 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.288 1.035 . . . . 0.0 110.026 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -71.11 23.19 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.528 1.931 . . . . 0.0 116.144 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -141.49 157.51 45.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.313 1.845 . . . . 0.0 111.026 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -133.05 148.84 52.21 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.1 0.96 . . . . 0.0 112.725 -168.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 40.9 p -77.55 146.65 36.18 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.787 0.803 . . . . 0.0 111.982 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 20.0 m -146.65 161.56 40.3 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.439 1.896 . . . . 0.0 110.194 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -78.32 136.93 37.82 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.51 164.26 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 127.69 2.396 . . . . 0.0 109.866 -171.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 3.1 p -135.0 130.8 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 125.778 1.631 . . . . 0.0 110.643 -172.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 58.9 m -97.97 123.45 41.97 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.09 119.04 15.73 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 164.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -21.51 56.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.238 -0.914 . . . . 0.0 112.276 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.7 m -74.43 -48.91 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.026 1.331 . . . . 0.0 111.102 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.12 -18.86 19.83 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 72.12 23.8 3.31 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 127.63 2.372 . . . . 0.0 114.556 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -100.24 158.17 16.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.361 1.064 . . . . 0.0 112.459 172.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.0 m -119.42 138.11 53.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.257 1.423 . . . . 0.0 111.092 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -154.77 175.44 13.71 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.733 2.013 . . . . 0.0 110.095 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -33.91 73.82 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.718 -1.239 . . . . 0.0 112.812 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -136.73 156.67 75.99 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.363 1.865 . . . . 0.0 111.282 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -69.41 153.01 71.14 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.802 2.334 . . . . 0.0 110.476 172.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.2 160.5 26.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.693 0.797 . . . . 0.0 112.878 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.34 -37.63 78.32 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.662 -0.648 . . . . 0.0 111.52 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 11.4 p -62.89 -42.53 99.81 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.676 1.19 . . . . 0.0 112.003 173.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 90.7 m -68.98 -37.98 79.07 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.864 0.866 . . . . 0.0 112.116 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.15 -42.44 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.972 0.509 . . . . 0.0 110.83 172.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 -42.27 76.55 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -80.57 -7.79 59.36 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.667 1.187 . . . . 0.0 113.132 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 19.1 m120 65.44 44.61 3.06 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.189 1.796 . . . . 0.0 112.367 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -61.52 156.33 19.83 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.64 0.776 . . . . 0.0 110.719 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.75 137.78 32.09 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.345 0.658 . . . . 0.0 110.598 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.25 163.67 29.45 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -139.52 137.18 35.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 112.172 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -102.2 151.52 22.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.446 1.098 . . . . 0.0 113.559 -171.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -169.59 -177.38 2.71 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.173 2.589 . . . . 0.0 109.539 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -113.71 149.78 34.27 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.011 -1.68 . . . . 0.0 113.416 -174.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -162.07 -167.14 22.07 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.482 1.515 . . . . 0.0 114.116 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.52 134.31 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.514 1.526 . . . . 0.0 109.846 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.02 164.44 12.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.988 1.315 . . . . 0.0 113.987 -175.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -133.36 124.92 28.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.689 1.996 . . . . 0.0 109.352 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -98.09 139.42 33.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 111.579 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -132.94 153.77 51.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.686 1.195 . . . . 0.0 113.347 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -133.27 143.59 49.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.375 1.87 . . . . 0.0 111.629 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.95 147.91 34.58 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.752 2.021 . . . . 0.0 110.337 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.98 -19.38 55.23 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.434 2.756 . . . . 0.0 115.898 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -76.19 -12.0 60.02 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.206 1.366 . . . . 0.0 113.964 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 105.6 -8.48 43.68 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.265 1.888 . . . . 0.0 114.243 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.18 153.69 41.76 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 118.928 1.364 . . . . 0.0 111.897 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.84 155.14 44.59 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.944 1.698 . . . . 0.0 111.511 -173.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.4 t -157.22 174.82 14.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.917 1.287 . . . . 0.0 111.271 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.2 mt -140.79 147.06 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.793 1.637 . . . . 0.0 108.806 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 18.9 t -143.94 175.31 10.12 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.919 -1.113 . . . . 0.0 111.007 170.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.48 -18.74 21.96 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.548 0.739 . . . . 0.0 111.292 162.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -87.53 167.15 14.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.013 1.325 . . . . 0.0 112.31 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -66.87 -13.12 61.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -163.03 136.9 4.66 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.678 1.991 . . . . 0.0 109.283 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -73.56 155.37 50.04 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 123.243 2.629 . . . . 0.0 110.689 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.412 ' H ' ' HD3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -96.39 -17.47 20.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -69.35 145.93 52.55 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.712 1.605 . . . . 0.0 112.729 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -79.92 162.5 24.93 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.307 -0.87 . . . . 0.0 110.709 163.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.2 140.1 58.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.638 1.175 . . . . 0.0 112.771 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.2 m -85.6 -10.26 56.11 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.3 m -102.34 -42.21 6.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.596 1.158 . . . . 0.0 111.989 -175.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 19.7 p -123.34 -14.81 7.35 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.65 -6.67 74.22 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 165.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -170.25 2.57 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.404 1.602 . . . . 0.0 113.199 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -129.33 101.42 5.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.532 1.533 . . . . 0.0 110.284 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -145.17 29.32 1.18 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 126.287 1.835 . . . . 0.0 112.731 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -59.13 137.63 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.78 -1.2 . . . . 0.0 113.18 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -122.99 133.05 54.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.611 1.964 . . . . 0.0 109.502 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.27 125.27 25.56 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.369 0.668 . . . . 0.0 110.218 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 29.4 m -131.09 176.76 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.494 1.518 . . . . 0.0 110.784 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -109.29 172.52 16.27 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.421 1.01 . . . . 0.0 114.052 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 14.8 tpt -163.2 115.77 1.54 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.021 1.328 . . . . 0.0 113.739 166.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 tp -169.76 161.19 9.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.662 1.985 . . . . 0.0 110.782 173.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -76.24 -12.71 60.13 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -83.05 127.87 33.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.598 1.559 . . . . 0.0 109.965 171.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -67.38 147.96 52.24 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.39 -0.819 . . . . 0.0 112.855 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 26.7 p -77.55 -24.67 49.84 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.362 1.465 . . . . 0.0 114.26 -173.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 108.56 -122.18 6.54 Favored Glycine 0 CA--C 1.541 1.662 0 CA-C-O 117.807 -1.552 . . . . 0.0 112.132 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.93 150.62 61.39 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.31 2.673 . . . . 0.0 113.106 -172.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -83.14 -12.5 56.93 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.936 1.294 . . . . 0.0 113.477 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.07 151.94 44.02 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.598 1.559 . . . . 0.0 111.519 -174.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 84.46 0.46 89.37 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.418 1.009 . . . . 0.0 115.524 175.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 CA-C-N 118.839 1.319 . . . . 0.0 113.266 178.888 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.12 164.26 35.9 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 124.063 3.175 . . . . 0.0 112.203 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 28.3 ptm -158.51 161.35 37.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.919 1.687 . . . . 0.0 111.336 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -76.92 118.71 5.22 Favored Glycine 0 N--CA 1.469 0.844 0 C-N-CA 123.858 0.742 . . . . 0.0 111.853 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -66.58 -10.8 49.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -71.23 -19.95 62.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.628 1.171 . . . . 0.0 112.039 172.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 10.2 t -96.11 134.96 38.53 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.134 -0.979 . . . . 0.0 110.989 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.01 151.64 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.217 1.407 . . . . 0.0 109.885 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -71.02 34.83 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.986 2.114 . . . . 0.0 113.721 170.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.21 140.33 7.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 129.016 2.926 . . . . 0.0 108.45 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -118.91 145.05 46.06 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.726 0.774 . . . . 0.0 112.938 -159.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 50.2 p -76.59 151.6 36.22 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.7 0.762 . . . . 0.0 112.449 175.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 7.0 t -157.31 177.38 11.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 0.0 110.732 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 24.5 ttm105 -90.77 142.29 27.91 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.779 0.831 . . . . 0.0 109.611 167.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.62 162.68 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.31 1.844 . . . . 0.0 110.38 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 8.6 p -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.263 1.025 . . . . 0.0 111.477 -173.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 56.6 m -122.09 116.6 24.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.863 1.265 . . . . 0.0 108.806 162.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.0 t -69.96 120.79 16.21 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -80.46 -21.59 41.9 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.222 -0.924 . . . . 0.0 111.995 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 37.4 m -74.81 -47.2 31.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.063 1.345 . . . . 0.0 110.985 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.0 m -98.05 -16.14 19.73 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? 73.25 20.94 3.18 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.887 2.475 . . . . 0.0 114.56 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -97.04 156.49 16.34 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.473 1.109 . . . . 0.0 113.053 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 41.3 m -111.91 142.51 44.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.192 1.797 . . . . 0.0 109.58 173.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.6 168.72 25.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.899 1.28 . . . . 0.0 112.653 -168.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -72.22 -32.34 66.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 112.266 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.21 154.44 16.25 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 127.143 2.177 . . . . 0.0 110.453 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.57 151.96 42.47 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.644 2.229 . . . . 0.0 111.044 -176.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -69.78 161.96 28.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.903 0.881 . . . . 0.0 113.163 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.56 -36.76 81.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.238 -0.914 . . . . 0.0 112.15 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 7.2 p -63.87 -43.43 96.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.516 1.126 . . . . 0.0 111.553 171.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.0 -40.09 94.44 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.813 0.845 . . . . 0.0 112.181 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 87.0 t -71.42 -41.97 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.576 0.75 . . . . 0.0 111.665 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.6 t -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.017 0.927 . . . . 0.0 113.015 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -76.66 -9.7 58.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.048 0.939 . . . . 0.0 112.604 173.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 58.7 52.18 7.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.598 1.559 . . . . 0.0 112.256 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.43 157.45 11.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.225 1.01 . . . . 0.0 110.487 169.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -84.53 137.88 33.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.704 -0.623 . . . . 0.0 110.375 173.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.81 148.09 41.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.475 0.655 . . . . 0.0 112.673 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -103.8 123.11 46.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.235 1.414 . . . . 0.0 109.775 166.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -96.11 149.81 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.805 0.842 . . . . 0.0 111.948 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -161.99 177.56 9.66 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.27 1.828 . . . . 0.0 110.362 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.29 154.99 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.84 -1.162 . . . . 0.0 112.374 174.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -158.29 -176.19 30.07 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.762 1.649 . . . . 0.0 112.855 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.1 t -126.95 124.61 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.005 1.322 . . . . 0.0 109.542 174.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -82.37 141.15 33.05 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.866 1.266 . . . . 0.0 112.41 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -111.19 134.69 52.59 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 126.14 1.776 . . . . 0.0 109.919 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 831' ' ' MET . 13.9 m-85 -100.55 141.85 32.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.945 1.298 . . . . 0.0 111.109 -176.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.55 155.11 50.99 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.206 1.002 . . . . 0.0 112.876 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -138.45 142.41 39.48 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.873 1.669 . . . . 0.0 111.688 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -100.27 147.79 34.01 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 127.015 2.126 . . . . 0.0 110.164 172.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.29 -18.87 47.53 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.416 2.744 . . . . 0.0 115.853 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.9 p -76.53 -12.43 60.03 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 120.62 1.555 . . . . 0.0 114.316 172.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.9 -8.51 39.33 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 126.564 2.03 . . . . 0.0 114.538 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -65.66 155.08 37.03 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.076 1.438 . . . . 0.0 111.832 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -131.45 157.89 42.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.979 1.712 . . . . 0.0 112.147 -171.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.4 t -160.43 173.51 15.49 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.416 1.487 . . . . 0.0 111.357 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 24.9 mt -139.22 142.28 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.661 1.984 . . . . 0.0 108.684 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -143.75 161.19 39.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.495 0.718 . . . . 0.0 111.793 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.83 -14.53 47.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.754 0.821 . . . . 0.0 112.535 166.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -91.31 166.17 13.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.253 1.421 . . . . 0.0 112.404 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -63.16 -14.98 55.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.514 1.526 . . . . 0.0 114.672 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 16.0 tp -162.28 139.11 6.12 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 127.246 2.218 . . . . 0.0 109.09 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.56 153.92 54.93 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.998 2.465 . . . . 0.0 110.78 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.25 -21.33 20.39 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 147.85 32.51 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.948 1.299 . . . . 0.0 113.214 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -80.8 164.06 22.99 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.263 -0.898 . . . . 0.0 111.692 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.74 139.95 58.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.278 1.031 . . . . 0.0 112.972 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 58.3 m -86.86 -11.86 49.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.263 1.025 . . . . 0.0 112.928 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.2 m -102.3 -41.14 6.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.334 1.454 . . . . 0.0 112.142 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.7 p -125.31 -13.62 6.63 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 94.53 -8.96 71.7 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 164.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -171.89 3.36 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.864 1.332 . . . . 0.0 113.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -129.34 96.3 4.26 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.187 1.395 . . . . 0.0 110.07 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -141.82 31.53 1.62 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.814 1.645 . . . . 0.0 112.125 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -58.94 134.21 56.74 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.086 -1.009 . . . . 0.0 112.186 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -119.91 135.88 54.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.768 1.627 . . . . 0.0 108.837 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -71.57 131.18 42.87 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.971 0.508 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.7 169.63 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.067 1.747 . . . . 0.0 110.993 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -104.43 161.76 15.25 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 124.511 1.053 . . . . 0.0 113.744 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . 0.415 ' HB3' ' CE2' ' A' ' 798' ' ' PHE . 33.9 ttp -157.7 143.65 17.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.288 1.435 . . . . 0.0 111.98 172.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 tp -169.83 165.55 9.76 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.697 1.599 . . . . 0.0 111.1 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -83.03 -0.31 48.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -137.71 155.8 48.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.847 2.059 . . . . 0.0 111.067 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -69.7 151.99 45.19 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.046 1.338 . . . . 0.0 113.906 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 18.9 m -69.02 -38.06 79.01 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.973 1.709 . . . . 0.0 112.209 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -143.31 161.45 27.64 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.395 1.474 . . . . 0.0 112.738 173.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.86 -15.28 29.76 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.974 3.116 . . . . 0.0 113.674 -174.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -68.13 -26.17 65.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.41 1.084 . . . . 0.0 113.486 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 33.3 tp -70.07 146.19 51.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.739 1.215 . . . . 0.0 111.371 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -82.43 -145.94 5.75 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.339 1.447 . . . . 0.0 113.285 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.392 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.984 -179.249 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 CA-C-O 119.698 -0.501 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -58.67 146.56 91.44 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 124.411 3.407 . . . . 0.0 113.392 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 37.3 mmt -80.23 162.6 24.56 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.253 1.021 . . . . 0.0 112.323 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 85.93 13.66 68.87 Favored Glycine 0 N--CA 1.477 1.406 0 C-N-CA 124.301 0.953 . . . . 0.0 113.929 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 149.59 25.47 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.825 1.65 . . . . 0.0 112.668 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.63 -27.34 55.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.712 0.805 . . . . 0.0 112.538 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 5.6 t -168.57 -179.79 4.0 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.232 1.413 . . . . 0.0 111.263 177.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 18.0 mm -109.59 151.7 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.341 1.856 . . . . 0.0 109.015 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -70.1 20.57 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.69 152.78 48.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.349 1.86 . . . . 0.0 109.897 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -141.55 148.96 40.17 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.631 -0.668 . . . . 0.0 112.743 -165.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 61.0 p -81.32 159.76 24.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.498 1.119 . . . . 0.0 113.597 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 28.3 p -161.04 178.02 9.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.035 1.734 . . . . 0.0 111.707 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -91.39 143.11 26.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.509 0.724 . . . . 0.0 109.795 163.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 32.7 m -137.94 170.78 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 127.088 2.155 . . . . 0.0 110.215 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 9.5 p -141.44 141.65 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.557 1.143 . . . . 0.0 111.346 -173.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 87.0 m -108.61 116.81 32.68 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.753 1.221 . . . . 0.0 108.831 165.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 45.4 t -74.39 119.71 18.96 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 166.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.95 -18.53 50.19 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.242 1.017 . . . . 0.0 112.417 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 28.3 m -81.34 -40.04 24.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.445 1.098 . . . . 0.0 111.692 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 73.4 m -100.8 -17.45 16.9 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 74.27 21.15 2.49 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 127.75 2.42 . . . . 0.0 113.499 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -96.55 158.46 15.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.514 -1.366 . . . . 0.0 112.864 174.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 6.2 m -117.48 135.15 54.12 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 109.42 171.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.1 -178.84 7.51 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.811 1.244 . . . . 0.0 111.795 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.7 -30.05 65.25 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.22 -0.925 . . . . 0.0 113.148 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -160.26 157.02 24.18 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 126.162 1.785 . . . . 0.0 111.605 -175.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.78 152.76 37.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.462 2.108 . . . . 0.0 110.005 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -70.32 159.05 34.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.587 0.708 . . . . 0.0 111.947 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.84 -32.94 72.32 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 111.74 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.6 p -65.63 -43.67 88.81 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.664 1.186 . . . . 0.0 111.697 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 94.1 m -63.67 -40.85 97.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.433 1.015 . . . . 0.0 112.012 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.87 -42.75 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.693 0.797 . . . . 0.0 111.236 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.9 t -70.33 -42.06 72.4 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.036 0.934 . . . . 0.0 113.159 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.38 -4.81 44.28 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.423 1.089 . . . . 0.0 112.507 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 58.89 47.32 12.61 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.769 1.628 . . . . 0.0 112.18 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -60.76 152.16 27.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.513 1.125 . . . . 0.0 110.622 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -83.81 138.44 33.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.389 0.676 . . . . 0.0 109.939 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.35 153.24 42.52 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -115.99 128.58 55.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.086 1.354 . . . . 0.0 109.511 169.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -94.16 150.79 19.99 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.366 1.066 . . . . 0.0 111.901 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -164.38 178.82 7.19 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.538 1.935 . . . . 0.0 110.356 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -95.52 155.07 16.9 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.086 -1.008 . . . . 0.0 112.953 174.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.49 -176.86 30.03 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.648 1.594 . . . . 0.0 113.502 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 65.8 t -130.95 134.16 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.849 1.66 . . . . 0.0 109.149 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -104.46 148.78 26.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -172.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -114.98 132.65 56.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.539 2.336 . . . . 0.0 109.353 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -100.23 145.46 28.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.08 0.952 . . . . 0.0 111.336 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -135.73 153.45 51.57 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.717 0.807 . . . . 0.0 112.951 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -132.18 142.69 49.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.912 1.685 . . . . 0.0 112.125 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.77 150.2 36.52 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.461 1.905 . . . . 0.0 111.131 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.55 -24.0 59.56 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.399 2.732 . . . . 0.0 115.714 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 15.6 p -75.51 -12.77 60.3 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.75 -9.53 37.6 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.756 1.646 . . . . 0.0 114.78 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -65.54 155.23 36.35 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.724 1.262 . . . . 0.0 112.315 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -128.5 158.7 37.67 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.388 1.475 . . . . 0.0 111.662 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.1 t -157.94 174.99 14.42 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.642 1.577 . . . . 0.0 110.794 170.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.6 mt -141.89 143.83 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.789 1.636 . . . . 0.0 108.985 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 19.1 t -140.57 165.95 26.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.227 1.011 . . . . 0.0 111.7 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.81 -9.08 44.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.503 1.121 . . . . 0.0 112.013 165.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.66 167.97 10.63 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.625 1.57 . . . . 0.0 111.509 174.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.49 -13.51 58.98 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.931 1.292 . . . . 0.0 114.125 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.7 tp -155.68 138.63 10.64 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.093 1.757 . . . . 0.0 109.792 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 154.62 54.04 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.552 2.835 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.03 -13.17 39.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 155.9 18.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.585 1.554 . . . . 0.0 113.702 -167.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -81.31 164.91 21.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.2 1.0 . . . . 0.0 111.83 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.34 134.24 56.73 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.382 -0.824 . . . . 0.0 112.313 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 16.0 m -73.21 -16.96 61.4 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.206 1.002 . . . . 0.0 113.06 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 93.4 m -107.91 -40.62 5.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 112.21 -167.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.87 -11.36 7.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.12 -7.06 81.33 Favored Glycine 0 N--CA 1.474 1.213 0 C-N-CA 125.189 1.376 . . . . 0.0 116.403 163.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -173.22 4.25 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 118.799 1.299 . . . . 0.0 112.615 178.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -129.4 97.25 4.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.239 1.416 . . . . 0.0 109.782 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -141.65 30.64 1.68 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.764 1.625 . . . . 0.0 112.215 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -60.2 132.92 55.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.096 0.959 . . . . 0.0 113.29 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -111.25 134.34 52.92 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.27 1.828 . . . . 0.0 109.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -74.74 129.24 37.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.972 0.415 . . . . 0.0 110.397 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.0 m -133.22 177.21 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.175 1.79 . . . . 0.0 110.488 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -108.71 174.05 18.21 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.459 1.028 . . . . 0.0 113.986 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 19.2 ttt -166.25 133.24 2.63 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.825 1.65 . . . . 0.0 113.684 168.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.3 tp -155.69 -175.46 5.44 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.973 2.109 . . . . 0.0 110.265 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -65.75 -19.53 65.93 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -105.3 130.25 53.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 125.559 1.543 . . . . 0.0 111.747 -158.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.32 158.27 31.98 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.181 0.992 . . . . 0.0 113.342 172.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 33.8 p -73.7 167.52 21.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.221 1.408 . . . . 0.0 110.83 171.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 82.88 -146.06 23.97 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-O 118.616 -1.102 . . . . 0.0 112.419 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -55.36 136.02 71.74 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 124.134 3.223 . . . . 0.0 113.434 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -74.13 -26.63 60.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.69 0.796 . . . . 0.0 112.218 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 41.0 tp -64.17 148.19 50.58 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.663 1.585 . . . . 0.0 111.348 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . 83.91 145.02 6.39 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.526 1.06 . . . . 0.0 113.061 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.298 0 C-N-CA 125.908 1.718 . . . . 0.0 112.317 178.014 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 CA-C-O 119.365 -0.686 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.45 -21.6 17.03 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.694 2.929 . . . . 0.0 113.967 -173.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 93.8 mmm -75.51 0.75 16.18 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -175.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 66.11 -121.49 18.79 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.307 0.956 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -97.5 -2.41 42.0 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 174.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 135.3 -44.59 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.957 1 C-N-CA 133.106 4.563 . . . . 0.0 107.75 -171.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 71.3 m -93.11 149.38 21.27 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.024 1.33 . . . . 0.0 110.456 161.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 9.0 mm -74.0 142.79 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.067 0.947 . . . . 0.0 110.341 -177.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -79.98 37.92 0.38 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -173.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -151.09 160.71 43.73 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.759 2.423 . . . . 0.0 109.537 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -150.2 146.98 27.16 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 15.1 m -70.43 150.99 45.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.546 1.138 . . . . 0.0 112.713 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 10.3 t -151.15 161.06 43.42 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.218 1.407 . . . . 0.0 110.511 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -80.84 138.67 36.22 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 160.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.9 167.95 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 -170.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.28 137.79 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.883 1.273 . . . . 0.0 111.061 -171.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 82.7 m -106.8 117.73 34.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.446 1.098 . . . . 0.0 108.336 164.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.05 117.79 16.25 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.9 -23.93 58.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.199 1.0 . . . . 0.0 111.876 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 41.5 m -75.7 -46.78 29.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.931 1.292 . . . . 0.0 111.158 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.8 m -96.1 -17.59 20.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 71.47 30.87 2.4 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.599 2.359 . . . . 0.0 114.105 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -111.08 157.53 19.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.552 1.141 . . . . 0.0 112.285 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 17.2 m -118.86 134.21 55.31 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.664 1.586 . . . . 0.0 110.38 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.97 -179.26 7.39 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.517 1.927 . . . . 0.0 110.827 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -22.34 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.702 -1.249 . . . . 0.0 113.82 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -161.28 153.47 16.72 Favored Pre-proline 0 N--CA 1.478 0.971 0 C-N-CA 125.515 1.526 . . . . 0.0 113.148 -175.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -77.39 153.62 31.22 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.77 2.314 . . . . 0.0 110.493 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -71.49 161.21 31.4 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 122.168 0.985 . . . . 0.0 112.398 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.23 -39.35 75.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.241 -0.912 . . . . 0.0 111.641 173.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 9.6 p -66.54 -39.37 88.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.578 1.151 . . . . 0.0 112.021 173.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 91.0 m -64.47 -39.36 93.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.865 0.866 . . . . 0.0 111.657 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.31 -41.69 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 72.2 m -73.46 -39.13 65.16 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -77.44 -17.36 58.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.692 0.797 . . . . 0.0 111.943 168.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.82 49.43 0.37 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.638 1.975 . . . . 0.0 112.354 172.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -57.42 155.82 8.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.803 1.641 . . . . 0.0 110.89 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.63 136.68 35.53 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.15 0.58 . . . . 0.0 109.889 172.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.97 152.07 46.02 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.5 0.72 . . . . 0.0 112.801 176.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -114.11 126.27 54.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.1 1.36 . . . . 0.0 109.744 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -95.0 149.39 21.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.096 0.959 . . . . 0.0 112.391 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.33 -170.78 2.17 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.791 2.036 . . . . 0.0 110.413 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -110.28 152.13 26.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.113 -0.992 . . . . 0.0 113.312 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -157.87 -169.39 21.46 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.975 1.75 . . . . 0.0 112.7 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.14 137.83 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.482 1.513 . . . . 0.0 109.408 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -108.68 144.01 37.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.837 1.255 . . . . 0.0 113.416 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.83 151.2 38.5 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.834 2.054 . . . . 0.0 109.698 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 831' ' ' MET . 29.5 m-85 -110.38 139.59 45.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.224 1.41 . . . . 0.0 111.66 -171.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.26 151.82 51.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.73 0.812 . . . . 0.0 112.992 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.87 141.4 46.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.918 1.687 . . . . 0.0 111.733 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 49.3 t -96.56 148.25 34.16 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 126.226 1.81 . . . . 0.0 110.337 172.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.59 -19.01 42.85 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 123.356 2.704 . . . . 0.0 116.333 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.5 p -77.9 -12.18 59.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.091 1.314 . . . . 0.0 114.368 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 107.37 -9.8 38.87 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.386 1.946 . . . . 0.0 114.831 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.74 155.22 30.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.655 1.727 . . . . 0.0 112.025 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -130.27 156.11 45.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.416 1.486 . . . . 0.0 111.845 -173.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 4.5 t -158.54 173.57 16.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.233 1.413 . . . . 0.0 112.007 169.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.6 mt -139.95 145.18 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 127.018 2.127 . . . . 0.0 108.329 -174.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 22.7 t -148.53 162.23 40.06 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.974 -1.079 . . . . 0.0 111.629 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 98.1 mt -81.47 -20.97 39.1 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.57 -0.706 . . . . 0.0 112.006 167.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -89.01 164.01 15.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.879 1.272 . . . . 0.0 111.594 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -11.18 22.28 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.2 tp -156.56 135.08 7.51 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 126.405 1.882 . . . . 0.0 109.857 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.82 157.01 61.74 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.496 2.798 . . . . 0.0 111.867 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -16.93 31.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.11 150.84 22.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.591 1.557 . . . . 0.0 113.469 -167.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -81.62 162.95 22.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.298 1.039 . . . . 0.0 111.658 173.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.98 137.84 58.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.683 1.193 . . . . 0.0 113.068 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 3.7 p -85.91 -10.13 55.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.737 1.615 . . . . 0.0 113.427 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 97.6 m -103.97 -40.85 6.05 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.684 1.194 . . . . 0.0 112.688 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.7 p -125.93 -14.42 6.12 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 95.76 -9.38 68.54 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.123 1.344 . . . . 0.0 116.438 164.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.38 -171.01 3.18 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.768 1.284 . . . . 0.0 113.402 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -132.34 94.58 3.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.672 1.589 . . . . 0.0 109.941 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -140.23 31.13 1.95 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.69 1.596 . . . . 0.0 112.314 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -59.06 130.62 47.91 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.023 -1.048 . . . . 0.0 112.934 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -108.23 132.78 53.31 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.102 1.761 . . . . 0.0 108.988 171.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -75.8 122.46 24.1 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.59 166.1 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.838 1.655 . . . . 0.0 111.778 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -91.61 135.89 13.01 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 123.52 0.581 . . . . 0.0 114.075 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . 0.444 ' HB3' ' CD2' ' A' ' 798' ' ' PHE . 15.1 tpt -155.33 159.6 40.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.996 2.118 . . . . 0.0 109.665 160.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.89 163.03 22.11 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.959 1.304 . . . . 0.0 113.049 -157.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -69.64 152.25 44.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.967 0.907 . . . . 0.0 112.093 162.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -142.9 159.52 42.08 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.876 2.07 . . . . 0.0 110.536 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.25 144.12 55.97 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.588 1.155 . . . . 0.0 112.617 176.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 32.9 p -123.36 163.46 20.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.055 1.742 . . . . 0.0 111.811 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -88.54 -168.88 44.5 Favored Glycine 0 CA--C 1.543 1.833 0 C-N-CA 124.937 1.256 . . . . 0.0 113.169 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -56.15 147.06 67.49 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.385 3.39 . . . . 0.0 112.976 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -87.14 86.42 7.29 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.137 0.975 . . . . 0.0 111.94 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 11.1 mp -75.24 -29.21 60.16 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.859 1.264 . . . . 0.0 112.15 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -86.37 -178.88 49.57 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.012 1.292 . . . . 0.0 113.533 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.289 0 CA-C-O 117.936 -1.48 . . . . 0.0 114.255 -179.665 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 CA-C-O 119.248 -0.751 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.69 122.42 9.11 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.608 2.872 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 14.0 tpt -174.1 160.47 3.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.21 2.204 . . . . 0.0 109.496 -172.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 90.75 22.54 33.25 Favored Glycine 0 N--CA 1.475 1.245 0 C-N-CA 124.562 1.077 . . . . 0.0 113.99 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -56.35 127.73 32.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.716 1.207 . . . . 0.0 110.951 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 66.95 5.65 4.19 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.792 2.037 . . . . 0.0 113.772 -176.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 49.5 m -91.64 161.89 14.73 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.133 -1.605 . . . . 0.0 112.587 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.78 153.35 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.835 1.654 . . . . 0.0 109.668 -176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -66.06 7.32 0.3 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 135.5 34.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.17 1.788 . . . . 0.0 107.572 166.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -135.79 142.2 44.86 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -148.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 19.7 m -64.33 142.27 58.48 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.767 0.827 . . . . 0.0 112.701 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.37 160.44 42.65 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.83 1.252 . . . . 0.0 111.617 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -87.12 138.99 31.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.526 1.13 . . . . 0.0 110.188 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 14.0 m -140.44 168.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.632 1.973 . . . . 0.0 110.646 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.23 135.65 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.319 1.448 . . . . 0.0 110.606 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 29.7 m -113.14 119.32 37.42 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.269 1.428 . . . . 0.0 110.369 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.9 120.22 21.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.944 0.897 . . . . 0.0 109.376 169.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -80.09 -7.79 59.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.131 . . . . 0.0 112.544 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.7 m -89.98 -47.5 7.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.564 1.146 . . . . 0.0 110.606 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 69.6 m -96.96 -19.15 18.98 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -172.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 73.14 35.57 0.93 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.566 1.946 . . . . 0.0 114.356 173.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -106.54 161.54 14.52 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.66 1.184 . . . . 0.0 112.274 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 33.6 m -124.07 121.16 34.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.804 1.242 . . . . 0.0 108.711 166.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -129.25 172.97 10.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.584 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -38.92 86.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.921 0.889 . . . . 0.0 111.566 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.98 156.43 70.49 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.814 2.045 . . . . 0.0 110.665 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.42 151.14 25.75 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.486 2.124 . . . . 0.0 110.441 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.43 147.99 51.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.228 0.611 . . . . 0.0 111.769 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.67 -37.11 77.86 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.243 -0.91 . . . . 0.0 111.584 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 4.4 p -68.61 -37.41 79.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 112.821 174.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 73.3 m -66.55 -37.65 85.44 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.346 0.976 . . . . 0.0 112.223 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.48 -47.09 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.795 0.838 . . . . 0.0 111.151 172.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 34.1 m -72.74 -36.32 67.71 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -77.54 -10.32 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.982 0.81 . . . . 0.0 112.835 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.83 39.94 1.82 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.16 1.784 . . . . 0.0 112.762 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -59.65 153.0 21.08 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.796 1.238 . . . . 0.0 110.848 174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -84.39 125.58 32.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.31 0.644 . . . . 0.0 110.906 173.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.66 149.06 52.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.564 1.146 . . . . 0.0 111.936 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -110.29 132.95 53.72 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.882 1.273 . . . . 0.0 110.308 171.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -91.45 149.31 21.76 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.841 1.257 . . . . 0.0 111.796 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -168.32 -175.67 2.64 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.652 1.981 . . . . 0.0 111.422 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.0 158.04 18.67 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.884 -1.135 . . . . 0.0 112.828 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.63 -153.53 7.1 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.111 2.291 . . . . 0.0 111.982 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 138.16 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.748 1.619 . . . . 0.0 110.553 174.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -97.36 139.49 33.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.661 1.184 . . . . 0.0 112.56 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -111.44 137.71 48.88 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.687 2.395 . . . . 0.0 108.577 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -102.34 145.04 30.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 110.052 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -135.91 153.2 51.51 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.791 0.837 . . . . 0.0 112.916 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -134.46 141.31 46.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.962 1.705 . . . . 0.0 111.283 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.46 148.44 34.96 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 126.91 2.084 . . . . 0.0 110.295 172.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.41 -20.69 41.46 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.122 3.215 . . . . 0.0 116.345 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 18.3 p -76.79 -12.37 59.97 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.129 1.331 . . . . 0.0 113.824 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 106.17 -7.78 41.02 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.511 2.005 . . . . 0.0 114.841 -177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -65.97 154.78 38.48 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.848 1.324 . . . . 0.0 112.185 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.4 mmm-85 -130.88 157.39 43.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.949 1.7 . . . . 0.0 112.141 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 5.8 t -159.93 172.93 16.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.657 1.583 . . . . 0.0 111.29 170.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 11.9 mt -142.18 140.67 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.15 1.78 . . . . 0.0 108.62 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 23.3 t -155.13 165.62 36.14 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.077 -1.015 . . . . 0.0 112.252 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.79 -15.94 25.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.182 1.793 . . . . 0.0 111.743 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -85.8 164.38 17.6 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.423 1.489 . . . . 0.0 111.45 170.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.62 59.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.53 125.29 1.38 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 126.824 2.049 . . . . 0.0 108.737 174.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.54 146.61 62.07 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.075 2.517 . . . . 0.0 110.859 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -5.08 58.4 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.6 154.55 17.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.614 1.566 . . . . 0.0 113.528 -175.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -79.47 162.91 25.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 112.541 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.24 135.9 57.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.994 0.902 . . . . 0.0 112.126 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 8.0 p -82.25 -8.95 59.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.227 1.411 . . . . 0.0 114.1 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 95.0 m -104.95 -44.71 4.74 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.699 1.2 . . . . 0.0 112.11 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.5 p -121.82 -14.19 8.13 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.67 -6.29 77.2 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 165.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 -167.45 1.88 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.046 1.423 . . . . 0.0 113.055 177.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -132.87 96.55 3.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.394 1.478 . . . . 0.0 110.142 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -144.11 32.05 1.24 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.713 1.605 . . . . 0.0 112.271 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -60.26 140.83 56.83 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.153 -0.967 . . . . 0.0 113.051 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -127.69 132.6 49.64 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.356 1.862 . . . . 0.0 109.232 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 58.8 ttp85 -67.43 129.35 39.63 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.271 0.628 . . . . 0.0 109.96 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.34 170.88 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.271 1.829 . . . . 0.0 110.152 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -101.96 158.88 18.3 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.116 0.865 . . . . 0.0 113.778 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 6.2 ttp -156.65 141.16 16.77 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 169.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.3 pt? 179.33 137.14 0.1 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.527 2.731 . . . . 0.0 109.015 -170.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -135.79 -8.61 2.12 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -167.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -71.14 -7.43 46.56 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -174.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -73.11 -17.83 61.36 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.445 1.898 . . . . 0.0 112.851 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 86.0 m -119.15 -47.69 2.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.407 1.883 . . . . 0.0 111.159 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . 67.47 81.1 0.18 Allowed Glycine 0 CA--C 1.535 1.281 0 CA-C-O 117.877 -1.513 . . . . 0.0 111.068 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -57.73 143.0 96.18 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.126 3.218 . . . . 0.0 114.331 -172.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -92.75 -19.63 21.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.411 1.084 . . . . 0.0 113.041 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 86.5 mt -90.44 161.37 15.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.926 1.69 . . . . 0.0 112.034 -177.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -82.35 179.2 53.25 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.841 1.21 . . . . 0.0 113.021 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.024 1.297 . . . . 0.0 112.474 -179.409 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.376 0 CA-C-O 118.988 -0.896 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.31 158.32 22.96 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 124.685 3.59 . . . . 0.0 113.747 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 25.0 ptp -70.91 156.45 39.59 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -126.9 165.46 20.09 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.865 1.698 . . . . 0.0 112.716 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 98.6 mtp -134.41 143.5 47.62 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.112 1.765 . . . . 0.0 110.345 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -144.15 -59.74 0.39 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.107 0.963 . . . . 0.0 112.071 -175.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 20.0 m -84.33 55.52 3.39 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -165.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 3.0 mm -116.52 138.07 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.142 1.777 . . . . 0.0 109.474 -173.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 -82.74 62.5 6.37 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 123.155 1.455 . . . . 0.0 113.828 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -169.93 165.92 9.5 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 128.012 2.525 . . . . 0.0 111.585 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -151.21 150.46 30.63 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.874 0.87 . . . . 0.0 111.395 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 57.8 p -81.45 149.33 28.82 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 11.7 t -162.96 159.17 23.21 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.528 1.531 . . . . 0.0 110.812 -173.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -73.41 140.86 46.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.738 0.415 . . . . 0.0 111.054 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.16 167.28 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.474 1.909 . . . . 0.0 110.638 -170.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 5.3 p -145.89 133.43 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.571 0.748 . . . . 0.0 112.597 -169.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 46.4 m -103.84 115.13 29.91 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.569 1.548 . . . . 0.0 109.434 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.21 123.38 23.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 165.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -79.41 -23.64 43.07 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 112.314 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 25.7 m -75.95 -47.06 26.63 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.065 1.346 . . . . 0.0 111.026 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 64.5 m -96.17 -14.57 22.68 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.5 1.12 . . . . 0.0 113.27 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 68.65 19.35 8.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.467 2.307 . . . . 0.0 114.029 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -85.14 164.78 17.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.05 -1.031 . . . . 0.0 112.64 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 7.7 m -128.48 121.76 29.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.672 1.189 . . . . 0.0 109.3 167.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -133.52 177.71 7.49 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.143 1.777 . . . . 0.0 111.339 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -73.75 -30.87 63.04 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.367 1.067 . . . . 0.0 112.943 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -143.68 157.38 58.7 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.904 2.082 . . . . 0.0 110.754 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.66 144.74 50.04 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.86 1.707 . . . . 0.0 109.281 172.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.13 154.58 34.2 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.886 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -62.32 -33.06 73.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.259 1.024 . . . . 0.0 111.191 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 13.2 p -64.11 -45.29 89.27 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.723 1.209 . . . . 0.0 111.321 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.6 -35.81 77.85 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.415 1.086 . . . . 0.0 112.34 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.7 -43.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.674 171.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.4 t -69.09 -44.11 73.17 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -79.11 -5.73 54.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.379 . . . . 0.0 112.81 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 57.22 49.83 12.73 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.065 1.746 . . . . 0.0 112.596 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -62.27 155.73 24.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.823 0.849 . . . . 0.0 110.427 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.36 135.94 33.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.501 -0.75 . . . . 0.0 110.403 172.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 150.62 50.68 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -113.02 121.96 46.2 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.16 1.384 . . . . 0.0 110.205 170.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -83.07 147.34 28.18 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.275 1.03 . . . . 0.0 112.212 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -161.38 -173.35 3.77 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.437 1.895 . . . . 0.0 110.338 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -108.28 145.32 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.178 -0.951 . . . . 0.0 111.996 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -148.87 -163.86 11.17 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 126.166 1.841 . . . . 0.0 112.996 -177.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 88.1 t -136.46 138.53 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.196 1.398 . . . . 0.0 110.456 -178.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -115.34 148.37 39.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.279 1.431 . . . . 0.0 114.282 -175.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.77 153.97 44.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.027 2.131 . . . . 0.0 111.028 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -116.7 135.71 53.55 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.135 1.374 . . . . 0.0 111.198 -166.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.05 146.51 50.41 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.88 143.39 51.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.61 1.564 . . . . 0.0 111.976 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 42.4 t -100.41 147.85 34.14 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 126.594 1.958 . . . . 0.0 110.522 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.31 -19.47 43.02 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 123.634 2.889 . . . . 0.0 116.462 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 19.2 p -75.5 -13.75 60.39 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 120.464 1.484 . . . . 0.0 113.891 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 109.19 -7.45 32.7 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.876 2.179 . . . . 0.0 114.297 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -65.5 153.29 41.84 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.103 1.452 . . . . 0.0 112.45 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -133.1 147.93 52.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.162 1.785 . . . . 0.0 111.862 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 2.3 t -154.14 169.42 23.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.573 1.549 . . . . 0.0 111.55 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.1 mt -132.07 144.75 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.14 1.776 . . . . 0.0 108.396 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 14.2 t -140.93 160.63 39.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.386 -0.821 . . . . 0.0 112.197 172.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 92.6 mt -84.03 -25.54 29.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.146 0.979 . . . . 0.0 111.687 168.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -85.25 165.85 17.0 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.027 1.331 . . . . 0.0 112.407 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -61.13 -12.8 13.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.569 1.547 . . . . 0.0 115.127 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.0 tp -164.49 142.56 5.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.692 2.397 . . . . 0.0 108.558 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.21 176.83 6.57 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 123.203 2.602 . . . . 0.0 110.913 170.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.31 4.62 1.61 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 8.48 43.3 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 -168.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 29.3 m80 73.99 171.41 0.29 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.545 2.338 . . . . 0.0 112.687 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.41 132.72 42.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 111.899 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 5.8 m -71.36 -17.93 62.4 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.873 1.269 . . . . 0.0 113.106 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 -40.61 4.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.818 1.247 . . . . 0.0 112.87 -167.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -123.07 -12.62 7.91 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 91.48 -8.75 78.57 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.696 1.141 . . . . 0.0 115.857 163.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.66 -167.09 1.37 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.997 1.398 . . . . 0.0 112.789 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.06 90.06 2.4 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.249 1.419 . . . . 0.0 110.292 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -136.36 26.48 3.17 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.566 1.546 . . . . 0.0 113.018 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.77 131.89 47.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.698 1.199 . . . . 0.0 113.124 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -121.21 132.04 54.59 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.754 2.022 . . . . 0.0 109.472 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -68.04 125.61 26.88 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.838 -0.539 . . . . 0.0 110.542 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 21.4 m -109.77 170.25 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.181 1.792 . . . . 0.0 110.984 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -74.61 178.08 45.93 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.683 1.135 . . . . 0.0 114.621 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.95 142.47 57.26 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.37 1.468 . . . . 0.0 112.118 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.14 141.41 41.91 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.955 1.302 . . . . 0.0 111.362 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -84.64 -21.89 30.1 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.11 142.73 47.51 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.033 1.733 . . . . 0.0 111.642 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -88.68 157.91 18.39 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.247 1.019 . . . . 0.0 112.953 -173.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 34.2 p -77.05 -27.81 54.52 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.452 1.501 . . . . 0.0 113.403 -177.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -175.01 172.67 45.69 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.055 1.312 . . . . 0.0 114.169 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.81 145.32 32.07 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.845 3.03 . . . . 0.0 111.443 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -169.17 170.2 8.84 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.606 1.962 . . . . 0.0 112.059 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.84 146.92 39.49 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.963 0.905 . . . . 0.0 111.209 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -92.79 -15.05 54.05 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.592 1.092 . . . . 0.0 114.317 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.2 0 C-N-CA 125.476 1.512 . . . . 0.0 113.327 -177.779 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.867 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.4 170.81 19.38 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.424 3.416 . . . . 0.0 112.026 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.46 -12.06 61.2 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.48 10.85 81.22 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.958 1.266 . . . . 0.0 114.092 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 37.2 mmt -74.76 -18.29 60.51 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.939 1.296 . . . . 0.0 113.591 -176.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -73.93 -43.67 57.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.985 0.914 . . . . 0.0 111.712 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 47.8 m -143.76 128.19 17.93 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.192 0.997 . . . . 0.0 111.159 -170.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.05 141.72 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.673 1.189 . . . . 0.0 108.816 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -80.4 16.07 1.43 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.57 1.548 . . . . 0.0 114.778 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -142.33 148.4 37.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.127 2.571 . . . . 0.0 107.561 169.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -150.77 149.95 30.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -155.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 16.2 m -78.63 135.13 37.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.998 0.919 . . . . 0.0 112.729 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 31.6 m -142.03 167.0 23.17 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.449 1.9 . . . . 0.0 110.453 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -73.7 139.31 45.25 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.722 -0.611 . . . . 0.0 110.117 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 31.5 m -137.48 168.85 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 128.606 2.763 . . . . 0.0 109.684 -171.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 13.9 p -137.57 141.91 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 111.508 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 96.1 m -113.01 117.0 30.81 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.053 1.341 . . . . 0.0 108.531 167.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.76 120.14 21.51 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -78.51 -20.92 49.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.317 1.047 . . . . 0.0 112.64 177.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 32.9 m -76.78 -43.78 35.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.445 1.098 . . . . 0.0 111.148 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.15 -17.55 17.35 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.731 1.212 . . . . 0.0 114.234 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 72.51 22.32 3.39 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.452 2.301 . . . . 0.0 113.517 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -88.3 165.33 15.07 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.09 -1.006 . . . . 0.0 112.77 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 135.92 54.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.305 1.442 . . . . 0.0 107.86 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -155.27 174.43 15.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.551 1.14 . . . . 0.0 112.313 -170.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -77.42 -27.39 52.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.814 0.846 . . . . 0.0 112.305 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -165.4 152.08 9.11 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 127.523 2.329 . . . . 0.0 110.742 -175.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -74.54 155.01 45.22 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.54 2.16 . . . . 0.0 110.538 -177.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -69.3 159.91 32.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 122.306 1.05 . . . . 0.0 112.381 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -58.26 -38.33 76.71 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.157 0.983 . . . . 0.0 111.121 172.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 6.1 p -69.53 -37.44 77.12 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 112.567 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 98.2 m -65.96 -41.35 91.35 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.913 0.779 . . . . 0.0 111.566 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.54 -42.91 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.64 0.776 . . . . 0.0 111.031 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 23.0 t -67.92 -40.1 83.44 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -80.27 -7.59 59.08 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.496 1.118 . . . . 0.0 113.085 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 59.57 49.69 8.18 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.159 1.783 . . . . 0.0 112.323 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -60.34 153.7 22.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.106 0.962 . . . . 0.0 110.635 170.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -85.17 130.25 34.64 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.657 -0.652 . . . . 0.0 110.039 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.12 152.06 49.56 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.811 0.844 . . . . 0.0 113.019 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -117.86 130.79 56.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.179 1.392 . . . . 0.0 110.322 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -99.88 149.14 23.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.811 1.244 . . . . 0.0 112.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -167.02 179.96 4.94 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.48 1.912 . . . . 0.0 110.682 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -95.44 147.9 23.04 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 120.808 -1.182 . . . . 0.0 112.27 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -161.29 163.54 34.48 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.776 1.655 . . . . 0.0 113.466 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.66 132.66 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.025 0.913 . . . . 0.0 111.24 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -103.13 148.12 26.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.425 1.49 . . . . 0.0 113.255 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.08 149.36 51.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.663 1.985 . . . . 0.0 109.993 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -108.59 151.05 26.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.336 1.054 . . . . 0.0 111.08 -166.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -139.15 149.01 43.97 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.707 0.803 . . . . 0.0 112.535 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -131.4 139.46 49.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.224 1.409 . . . . 0.0 111.751 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 48.8 t -100.03 148.37 34.75 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 126.405 1.882 . . . . 0.0 110.334 174.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.27 -21.13 50.81 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.554 2.836 . . . . 0.0 115.963 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 17.7 p -75.81 -10.64 59.6 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 120.281 1.401 . . . . 0.0 114.095 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.44 -8.38 47.93 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.556 2.027 . . . . 0.0 114.493 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -64.33 153.64 37.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.834 1.317 . . . . 0.0 112.368 175.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -129.71 153.06 48.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.995 1.718 . . . . 0.0 111.745 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 1.6 t -157.07 -178.78 7.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.184 1.394 . . . . 0.0 111.414 169.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.62 146.65 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.894 2.078 . . . . 0.0 108.13 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 12.6 t -136.7 157.79 45.94 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.236 -0.915 . . . . 0.0 111.248 169.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.42 -20.8 29.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.959 0.904 . . . . 0.0 111.701 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.27 169.77 10.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.866 1.666 . . . . 0.0 111.784 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -58.26 -15.62 10.83 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 14.7 tp -159.32 142.5 10.53 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 126.43 1.892 . . . . 0.0 109.155 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.76 164.66 34.73 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.317 2.678 . . . . 0.0 111.644 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -114.57 -9.69 12.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.544 1.538 . . . . 0.0 114.027 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -88.51 -16.14 33.45 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -153.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 45.6 m80 70.94 162.29 0.24 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.087 2.155 . . . . 0.0 112.139 -167.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.3 135.58 54.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.602 1.161 . . . . 0.0 112.183 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 26.0 p -83.62 -9.4 58.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.014 1.326 . . . . 0.0 113.718 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 89.3 m -103.0 -46.82 4.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.882 1.273 . . . . 0.0 112.18 -178.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 17.8 p -120.16 -13.88 8.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 93.62 -11.0 72.06 Favored Glycine 0 N--CA 1.471 0.993 0 C-N-CA 125.086 1.327 . . . . 0.0 116.333 165.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.53 -171.7 3.73 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.016 1.408 . . . . 0.0 113.09 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -128.61 97.54 4.72 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.452 1.501 . . . . 0.0 110.432 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -142.63 29.49 1.55 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.203 1.801 . . . . 0.0 111.886 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -61.33 128.63 37.31 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.231 1.012 . . . . 0.0 112.924 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -107.29 135.37 48.92 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.304 1.842 . . . . 0.0 109.979 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.35 119.57 11.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.145 0.978 . . . . 0.0 110.182 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.09 170.53 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.781 1.232 . . . . 0.0 110.693 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -110.85 158.63 14.26 Favored Glycine 0 N--CA 1.464 0.511 0 C-N-CA 124.07 0.843 . . . . 0.0 114.551 -171.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 5.5 ttp -158.15 142.98 16.38 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 168.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.49 17.26 0.09 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.057 1.343 . . . . 0.0 113.994 -165.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -56.74 112.44 1.3 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.341 1.456 . . . . 0.0 112.788 -170.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -76.39 -159.02 0.11 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.193 1.397 . . . . 0.0 110.55 168.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -69.24 24.91 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 126.493 1.917 . . . . 0.0 116.057 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 6.2 t -64.32 167.72 6.47 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.603 1.961 . . . . 0.0 111.766 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -74.26 151.31 43.45 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.782 1.182 . . . . 0.0 114.412 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -56.93 137.28 11.39 Favored 'Cis proline' 0 N--CA 1.459 -0.543 0 CA-C-N 117.637 0.719 . . . . 0.0 111.863 -24.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.15 151.91 46.72 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -166.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.5 153.74 43.18 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.415 1.486 . . . . 0.0 112.169 -177.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -79.28 165.26 50.25 Favored Glycine 0 N--CA 1.474 1.211 0 C-N-CA 124.406 1.003 . . . . 0.0 113.23 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.256 0 C-N-CA 125.611 1.577 . . . . 0.0 112.795 179.81 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 CA-C-O 119.689 -0.506 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -69.6 -21.43 34.25 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.607 2.872 . . . . 0.0 113.75 -174.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 15.3 tpt -61.02 -26.93 67.96 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.109 0.868 . . . . 0.0 112.722 173.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.35 84.35 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 123.928 0.775 . . . . 0.0 112.81 174.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 755' ' ' MET . . . . . . . . . . . . . 77.9 mtm -74.73 -24.31 58.71 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.69 1.196 . . . . 0.0 112.883 174.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -84.8 -9.54 58.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.518 1.527 . . . . 0.0 112.846 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 757' ' ' SER . . . . . . . . . . . . . 5.6 t -73.29 173.12 9.97 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.77 147.68 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.14 1.776 . . . . 0.0 110.693 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -27.99 68.01 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -175.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 760' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.13 130.37 43.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.435 0.694 . . . . 0.0 109.985 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 761' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -143.01 141.23 31.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.346 0.594 . . . . 0.0 112.356 -155.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 18.8 m -66.26 143.16 57.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.01 0.924 . . . . 0.0 113.193 -175.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 763' ' ' CYS . . . . . . . . . . . . . 24.5 t -151.8 161.38 42.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.974 1.31 . . . . 0.0 111.195 -173.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 764' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -79.07 140.02 37.98 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 166.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 765' ' ' VAL . . . . . . . . . . . . . 28.5 m -143.06 170.39 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.857 2.063 . . . . 0.0 110.21 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.64 140.94 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.404 0.681 . . . . 0.0 112.675 -170.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 767' ' ' THR . . . . . . . . . . . . . 98.6 m -115.22 120.45 39.75 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.222 1.409 . . . . 0.0 109.856 171.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 768' ' ' CYS . . . . . . . . . . . . . 44.5 t -78.96 124.35 28.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.161 0.984 . . . . 0.0 109.323 166.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -81.63 -18.93 42.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.935 0.894 . . . . 0.0 112.888 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 770' ' ' THR . . . . . . . . . . . . . 88.4 m -79.06 -47.2 16.61 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.741 1.217 . . . . 0.0 111.125 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 771' ' ' CYS . . . . . . . . . . . . . 65.6 m -94.37 -20.23 19.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.559 1.144 . . . . 0.0 113.427 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 16.1 mttm 78.57 20.21 0.86 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.628 2.371 . . . . 0.0 113.925 166.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 773' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -102.94 157.67 16.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.962 1.305 . . . . 0.0 112.442 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 774' ' ' THR . . . . . . . . . . . . . 28.3 m -120.67 132.06 54.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.643 1.577 . . . . 0.0 109.542 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -158.51 -175.89 5.58 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.92 1.688 . . . . 0.0 111.86 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.41 -28.72 64.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.929 1.292 . . . . 0.0 113.359 -175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -157.57 154.48 25.3 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.889 2.076 . . . . 0.0 111.529 -173.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.71 155.15 44.35 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.797 2.332 . . . . 0.0 109.853 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.03 159.19 35.19 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.571 0.7 . . . . 0.0 112.356 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.47 -33.88 74.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.405 -0.809 . . . . 0.0 111.536 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' THR . . . . . . . . . . . . . 12.0 p -65.66 -42.27 91.55 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.77 1.228 . . . . 0.0 111.943 171.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.95 -41.17 95.72 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.264 1.026 . . . . 0.0 111.538 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.58 -45.67 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.802 0.841 . . . . 0.0 111.02 175.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . . . . . . . . . 22.5 t -70.66 -44.1 67.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.952 0.901 . . . . 0.0 113.191 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -80.41 -5.37 56.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.298 1.039 . . . . 0.0 112.823 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.84 42.27 1.07 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.886 1.674 . . . . 0.0 113.435 166.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -60.92 152.65 26.99 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.553 1.141 . . . . 0.0 110.927 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.45 118.48 24.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.507 0.723 . . . . 0.0 110.024 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.77 151.56 46.55 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.117 0.967 . . . . 0.0 112.535 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -112.89 118.77 35.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.902 1.281 . . . . 0.0 109.804 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -82.92 148.02 27.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.212 1.005 . . . . 0.0 111.257 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -162.77 -176.38 4.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.005 1.722 . . . . 0.0 110.708 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -99.9 148.33 24.58 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.114 0.966 . . . . 0.0 112.567 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' GLY . . . . . . . . . . . . . . . -153.67 -156.77 7.78 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.942 2.211 . . . . 0.0 111.757 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.83 141.61 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.136 1.374 . . . . 0.0 111.509 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -121.01 154.91 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 113.585 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.52 155.42 48.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.092 2.157 . . . . 0.0 110.847 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -117.17 137.8 52.09 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.614 1.566 . . . . 0.0 111.467 -167.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -135.65 150.67 49.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 112.765 -170.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -129.26 145.54 51.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.402 1.881 . . . . 0.0 111.494 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' CYS . . . . . . . . . . . . . 37.1 t -97.57 150.79 37.16 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 127.007 2.123 . . . . 0.0 110.967 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.62 -23.33 56.6 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.388 2.725 . . . . 0.0 115.907 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' CYS . . . . . . . . . . . . . 16.0 p -76.19 -12.69 60.14 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.14 1.336 . . . . 0.0 114.266 173.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.67 -14.57 35.12 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.751 2.12 . . . . 0.0 114.613 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.52 154.32 21.18 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 118.878 1.339 . . . . 0.0 112.334 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -129.71 157.61 41.68 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.297 1.439 . . . . 0.0 112.159 -171.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.8 t -158.18 174.42 15.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.254 1.422 . . . . 0.0 111.513 170.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 14.5 mt -137.5 145.13 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 127.122 2.169 . . . . 0.0 107.993 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' SER . . . . . . . . . . . . . 16.3 t -142.24 156.77 45.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.086 -1.009 . . . . 0.0 112.069 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.64 -14.06 55.37 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.484 1.114 . . . . 0.0 112.301 166.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -100.91 169.93 8.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.105 1.362 . . . . 0.0 111.469 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -67.12 -5.96 15.58 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 15.6 tp -158.85 137.6 7.93 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 126.334 1.853 . . . . 0.0 108.875 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.45 155.27 67.4 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.332 2.688 . . . . 0.0 111.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -17.7 32.64 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -175.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 152.33 22.94 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.624 1.57 . . . . 0.0 113.243 -166.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -79.95 164.24 23.66 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.989 0.916 . . . . 0.0 111.617 173.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.25 139.26 58.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.875 1.27 . . . . 0.0 113.263 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 15.8 m -78.97 -16.86 56.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.377 1.071 . . . . 0.0 113.294 174.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 98.4 m -108.09 -34.98 6.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.73 1.212 . . . . 0.0 112.772 -167.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 18.6 p -128.34 -13.78 4.89 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' GLY . . . . . . . . . . . . . . . 92.04 -5.31 78.71 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 116.477 1.351 . . . . 0.0 116.477 164.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.71 -170.19 2.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.236 1.518 . . . . 0.0 113.082 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -133.04 95.9 3.65 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.366 1.466 . . . . 0.0 110.27 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -140.94 32.17 1.78 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.191 1.796 . . . . 0.0 112.178 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -59.94 140.3 56.8 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.131 0.973 . . . . 0.0 113.209 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -131.1 136.05 48.05 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.747 1.619 . . . . 0.0 109.02 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -73.84 133.2 43.15 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.925 0.49 . . . . 0.0 110.492 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 18.0 m -121.62 176.32 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.478 1.511 . . . . 0.0 111.991 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . -75.3 -169.6 25.82 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 125.602 1.572 . . . . 0.0 114.147 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' MET . . . . . . . . . . . . . 8.7 ttp -70.54 120.66 16.5 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.633 0.73 . . . . 0.0 111.101 -175.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.443 ' CD2' ' H ' ' A' ' 832' ' ' LEU . 1.1 pt? -66.72 159.45 27.81 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 126.472 1.909 . . . . 0.0 114.138 176.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -126.2 145.09 50.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.246 1.418 . . . . 0.0 112.044 160.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.55 172.0 8.01 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.647 1.179 . . . . 0.0 111.747 165.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -66.39 145.54 55.58 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.211 1.004 . . . . 0.0 111.194 169.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 15.7 p -77.13 164.22 25.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.382 1.473 . . . . 0.0 111.889 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' GLY . . . . . . . . . . . . . . . -150.53 -175.51 22.63 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.771 1.653 . . . . 0.0 113.301 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -79.61 -6.09 14.31 Favored 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 124.354 3.37 . . . . 0.0 113.565 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -64.01 146.01 54.87 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 122.084 0.945 . . . . 0.0 113.372 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 34.8 tp -77.02 150.15 35.82 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.519 1.528 . . . . 0.0 111.584 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' GLY . . . . . . . . . . . . . . . -83.66 -164.49 36.81 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.219 1.39 . . . . 0.0 113.831 176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.267 0 C-N-CA 125.229 1.395 . . . . 0.0 112.772 -179.731 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_